N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine

C30H66N4 — CID 140903521

IUPACN,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(CCN(CC(C)C)CC(C)C)CC(C)C)CCN(CC(C)C)CC(C)C
InChIInChI=1S/C30H66N4/c1-25(2)19-31(15-17-33(21-27(5)6)22-28(7)8)13-14-32(20-26(3)4)16-18-34(23-29(9)10)24-30(11)12/h25-30H,13-24H2,1-12H3
InChIKeyPCBKVHQWZUDUMC-UHFFFAOYSA-N
MW482.89 g/mol
LogP6.13
Rot. Bonds21

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

N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine (PubChem CID 140903521) has the molecular formula C30H66N4 and a molecular weight of 482.89 g/mol. Its IUPAC name is N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine
PubChem CID140903521
Molecular FormulaC30H66N4
Molecular Weight482.89 g/mol
Exact Mass482.53
IUPAC NameN,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(CCN(CC(C)C)CC(C)C)CC(C)C)CCN(CC(C)C)CC(C)C
InChIInChI=1S/C30H66N4/c1-25(2)19-31(15-17-33(21-27(5)6)22-28(7)8)13-14-32(20-26(3)4)16-18-34(23-29(9)10)24-30(11)12/h25-30H,13-24H2,1-12H3
InChIKeyPCBKVHQWZUDUMC-UHFFFAOYSA-N
XLogP6.13
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.89
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 18709992
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
N-(2-chloroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 61378109
N-ethyl-N'-(2-methylpropyl)-N,N'-dipropylethane-1,2-diamine
CID 123205995
alumane;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
CID 158194503
N-hexyl-N-(2-methylpropyl)hexan-1-amine
CID 54055603
1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19889997
N,N-bis(2-methylpropyl)octan-1-amine
CID 3790364
N,N-bis(2-methylpropyl)dodecan-1-amine
CID 14389650
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)pentane-1,5-diamine
CID 3723368

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine (CID 140903521) is N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCN(CCN(CC(C)C)CC(C)C)CC(C)C)CCN(CC(C)C)CC(C)C.
What is the InChIKey of N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is PCBKVHQWZUDUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H66N4/c1-25(2)19-31(15-17-33(21-27(5)6)22-28(7)8)13-14-32(20-26(3)4)16-18-34(23-29(9)10)24-30(11)12/h25-30H,13-24H2,1-12H3.
What are the key properties of N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine?
N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 482.89 g/mol, XLogP of 6.13, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 140903521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).