N'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine

C38H83N5 — CID 140903513

IUPACN'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CN(CCCN(CCN(CC(C)C)CC(C)C)CC(C)C)CCN(CCCN(CC(C)C)CC(C)C)CC(C)C
InChIInChI=1S/C38H83N5/c1-32(2)25-39(17-15-18-41(27-34(5)6)23-24-43(30-37(11)12)31-38(13)14)21-22-40(26-33(3)4)19-16-20-42(28-35(7)8)29-36(9)10/h32-38H,15-31H2,1-14H3
InChIKeyXDZNZDVOVRRKIE-UHFFFAOYSA-N
MW610.12 g/mol
LogP7.87
Rot. Bonds28

About N'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine

N'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine (PubChem CID 140903513) has the molecular formula C38H83N5 and a molecular weight of 610.12 g/mol. Its IUPAC name is N'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine
PubChem CID140903513
Molecular FormulaC38H83N5
Molecular Weight610.12 g/mol
Exact Mass609.66
IUPAC NameN'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CN(CCCN(CCN(CC(C)C)CC(C)C)CC(C)C)CCN(CCCN(CC(C)C)CC(C)C)CC(C)C
InChIInChI=1S/C38H83N5/c1-32(2)25-39(17-15-18-41(27-34(5)6)23-24-43(30-37(11)12)31-38(13)14)21-22-40(26-33(3)4)19-16-20-42(28-35(7)8)29-36(9)10/h32-38H,15-31H2,1-14H3
InChIKeyXDZNZDVOVRRKIE-UHFFFAOYSA-N
XLogP7.87
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds28
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.12
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine with MolForge

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Related Compounds

N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 140903521
N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 18709992
1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19889997
N-hexyl-N-(2-methylpropyl)hexan-1-amine
CID 54055603
N,N-bis(2-methylpropyl)decan-1-amine
CID 11265686
N-heptyl-N-(2-methylpropyl)octan-1-amine
CID 6425714
N,N-bis(2-methylpropyl)octan-1-amine
CID 3790364
N,N-bis(2-methylpropyl)dodecan-1-amine
CID 14389650
N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 58574228
N'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine
CID 86269595
N',N'-bis(2-methylpropyl)pentane-1,5-diamine
CID 3723368
N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 59849268

Frequently Asked Questions

What is the IUPAC name of N'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine (CID 140903513) is N'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine is CC(C)CN(CCCN(CCN(CC(C)C)CC(C)C)CC(C)C)CCN(CCCN(CC(C)C)CC(C)C)CC(C)C.
What is the InChIKey of N'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine?
The InChIKey is XDZNZDVOVRRKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H83N5/c1-32(2)25-39(17-15-18-41(27-34(5)6)23-24-43(30-37(11)12)31-38(13)14)21-22-40(26-33(3)4)19-16-20-42(28-35(7)8)29-36(9)10/h32-38H,15-31H2,1-14H3.
What are the key properties of N'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine?
N'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine has a molecular weight of 610.12 g/mol, XLogP of 7.87, 28 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 140903513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).