N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine

C13H30N2 — CID 83155603

IUPACN'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CCCN(CCCN)CC(C)C
InChIInChI=1S/C13H30N2/c1-12(2)7-5-9-15(10-6-8-14)11-13(3)4/h12-13H,5-11,14H2,1-4H3
InChIKeyDVUJZVYYDYTCOS-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.73
Rot. Bonds9

About N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine

N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 83155603) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID83155603
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CCCN(CCCN)CC(C)C
InChIInChI=1S/C13H30N2/c1-12(2)7-5-9-15(10-6-8-14)11-13(3)4/h12-13H,5-11,14H2,1-4H3
InChIKeyDVUJZVYYDYTCOS-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine
CID 86269595
N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
CID 59817423
N',N'-bis(2-methylpropyl)pentane-1,5-diamine
CID 3723368
N'-(2-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62264489
1-[bis(3-aminopropyl)amino]propan-2-ol
CID 88627199
3-[4-methylpentyl(2-methylpropyl)amino]propanethioamide
CID 83155682
N'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine
CID 54985939
N,N,N',N'-tetrakis(4-methylpentyl)methanediamine
CID 135274412
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-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 138647953
N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 58574228
36-methylheptatriacontan-1-amine
CID 134324173

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine (CID 83155603) is N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine is CC(C)CCCN(CCCN)CC(C)C.
What is the InChIKey of N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is DVUJZVYYDYTCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-12(2)7-5-9-15(10-6-8-14)11-13(3)4/h12-13H,5-11,14H2,1-4H3.
What are the key properties of N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine?
N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 83155603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).