4-N-(3-aminopropyl)-5-methyloctane-1,4,8-triamine

C12H30N4 — CID 20755632

IUPAC4-N-(3-aminopropyl)-5-methyloctane-1,4,8-triamine
SMILESCC(CCCN)C(CCCN)NCCCN
InChIInChI=1S/C12H30N4/c1-11(5-2-7-13)12(6-3-8-14)16-10-4-9-15/h11-12,16H,2-10,13-15H2,1H3
InChIKeyHFHLJVSYYMMCDJ-UHFFFAOYSA-N
MW230.40 g/mol
LogP0.41
Rot. Bonds11

About 4-N-(3-aminopropyl)-5-methyloctane-1,4,8-triamine

4-N-(3-aminopropyl)-5-methyloctane-1,4,8-triamine (PubChem CID 20755632) has the molecular formula C12H30N4 and a molecular weight of 230.40 g/mol. Its IUPAC name is 4-N-(3-aminopropyl)-5-methyloctane-1,4,8-triamine.

Molecular Properties

Compound Name4-N-(3-aminopropyl)-5-methyloctane-1,4,8-triamine
PubChem CID20755632
Molecular FormulaC12H30N4
Molecular Weight230.40 g/mol
Exact Mass230.25
IUPAC Name4-N-(3-aminopropyl)-5-methyloctane-1,4,8-triamine
SMILESCC(CCCN)C(CCCN)NCCCN
InChIInChI=1S/C12H30N4/c1-11(5-2-7-13)12(6-3-8-14)16-10-4-9-15/h11-12,16H,2-10,13-15H2,1H3
InChIKeyHFHLJVSYYMMCDJ-UHFFFAOYSA-N
XLogP0.41
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethylhexan-1-amine
CID 55283993
N'-(5-methylhexan-2-yl)propane-1,3-diamine
CID 60889893
4-N,5-dimethylhexane-1,4-diamine
CID 116949244
4-methyl-N-propyldecan-5-amine
CID 115837654
CID 158321019
CID 158321019
2-(3-aminopropylamino)propanenitrile
CID 62273858
N'-(3-aminopropyl)-4-methyloctane-1,8-diamine
CID 23599731
N'-propan-2-yloctane-1,8-diamine
CID 138605826
N'-(1-aminoethyl)butane-1,4-diamine
CID 21119792
N'-(3,4-dimethylpentyl)ethane-1,2-diamine
CID 156651247
N-ethyl-5-methyltridecan-6-amine
CID 114246331
1-(3-aminopropylamino)ethanesulfonic acid
CID 87212350

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-aminopropyl)-5-methyloctane-1,4,8-triamine?
The IUPAC name of 4-N-(3-aminopropyl)-5-methyloctane-1,4,8-triamine (CID 20755632) is 4-N-(3-aminopropyl)-5-methyloctane-1,4,8-triamine.
What is the SMILES notation for 4-N-(3-aminopropyl)-5-methyloctane-1,4,8-triamine?
The canonical SMILES for 4-N-(3-aminopropyl)-5-methyloctane-1,4,8-triamine is CC(CCCN)C(CCCN)NCCCN.
What is the InChIKey of 4-N-(3-aminopropyl)-5-methyloctane-1,4,8-triamine?
The InChIKey is HFHLJVSYYMMCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4/c1-11(5-2-7-13)12(6-3-8-14)16-10-4-9-15/h11-12,16H,2-10,13-15H2,1H3.
What are the key properties of 4-N-(3-aminopropyl)-5-methyloctane-1,4,8-triamine?
4-N-(3-aminopropyl)-5-methyloctane-1,4,8-triamine has a molecular weight of 230.40 g/mol, XLogP of 0.41, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-aminopropyl)-5-methyloctane-1,4,8-triamine is sourced from PubChem (CID 20755632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).