N'-(3-aminopropyl)-4-methyloctane-1,8-diamine

C12H29N3 — CID 23599731

IUPACN'-(3-aminopropyl)-4-methyloctane-1,8-diamine
SMILESCC(CCCN)CCCCNCCCN
InChIInChI=1S/C12H29N3/c1-12(7-4-8-13)6-2-3-10-15-11-5-9-14/h12,15H,2-11,13-14H2,1H3
InChIKeyKUQXCUNSNBGWHY-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.47
Rot. Bonds11

About N'-(3-aminopropyl)-4-methyloctane-1,8-diamine

N'-(3-aminopropyl)-4-methyloctane-1,8-diamine (PubChem CID 23599731) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is N'-(3-aminopropyl)-4-methyloctane-1,8-diamine.

Molecular Properties

Compound NameN'-(3-aminopropyl)-4-methyloctane-1,8-diamine
PubChem CID23599731
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC NameN'-(3-aminopropyl)-4-methyloctane-1,8-diamine
SMILESCC(CCCN)CCCCNCCCN
InChIInChI=1S/C12H29N3/c1-12(7-4-8-13)6-2-3-10-15-11-5-9-14/h12,15H,2-11,13-14H2,1H3
InChIKeyKUQXCUNSNBGWHY-UHFFFAOYSA-N
XLogP1.47
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N'-(7-methyloctyl)hexane-1,6-diamine
CID 107815689
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
(3R)-N'-(3-aminopropyl)-2,3,6-trimethyloctane-1,8-diamine
CID 177154486
5-methyl-N-propylnonan-1-amine
CID 123719528
1-N-(4-aminobutyl)pentane-1,4-diamine
CID 91335741
N-butyl-2-methylpentane-1,5-diamine
CID 104681936
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
3-methyl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine
CID 115520404
7-methyl-N-propyltridecan-1-amine
CID 123278261

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-4-methyloctane-1,8-diamine?
The IUPAC name of N'-(3-aminopropyl)-4-methyloctane-1,8-diamine (CID 23599731) is N'-(3-aminopropyl)-4-methyloctane-1,8-diamine.
What is the SMILES notation for N'-(3-aminopropyl)-4-methyloctane-1,8-diamine?
The canonical SMILES for N'-(3-aminopropyl)-4-methyloctane-1,8-diamine is CC(CCCN)CCCCNCCCN.
What is the InChIKey of N'-(3-aminopropyl)-4-methyloctane-1,8-diamine?
The InChIKey is KUQXCUNSNBGWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-12(7-4-8-13)6-2-3-10-15-11-5-9-14/h12,15H,2-11,13-14H2,1H3.
What are the key properties of N'-(3-aminopropyl)-4-methyloctane-1,8-diamine?
N'-(3-aminopropyl)-4-methyloctane-1,8-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.47, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)-4-methyloctane-1,8-diamine is sourced from PubChem (CID 23599731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).