nonane-1,3,4-triamine

C9H23N3 — CID 140867802

IUPACnonane-1,3,4-triamine
SMILESCCCCCC(N)C(N)CCN
InChIInChI=1S/C9H23N3/c1-2-3-4-5-8(11)9(12)6-7-10/h8-9H,2-7,10-12H2,1H3
InChIKeyYQHQWMADNBKNOF-UHFFFAOYSA-N
MW173.30 g/mol
LogP0.57
Rot. Bonds7

About nonane-1,3,4-triamine

nonane-1,3,4-triamine (PubChem CID 140867802) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is nonane-1,3,4-triamine.

Molecular Properties

Compound Namenonane-1,3,4-triamine
PubChem CID140867802
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC Namenonane-1,3,4-triamine
SMILESCCCCCC(N)C(N)CCN
InChIInChI=1S/C9H23N3/c1-2-3-4-5-8(11)9(12)6-7-10/h8-9H,2-7,10-12H2,1H3
InChIKeyYQHQWMADNBKNOF-UHFFFAOYSA-N
XLogP0.57
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.57
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

hexadecane-6,7-diamine
CID 57245820
tritriacontane-16,17-diamine
CID 57106039
hexatriacontane-18,19-diamine
CID 57054547
hexadecane-4,5-diamine
CID 57310882
3-N,3-N-dimethylhenicosane-1,3,4-triamine
CID 87930078
9-nonylheptacosane-1,10-diamine;dihydrofluoride
CID 174769166
3-(1,3-diaminopropyl)icosan-1-ol;dihydrofluoride
CID 88511699
(3R)-2-methylundecan-3-amine
CID 167260316
undecane-1,6-diamine
CID 18419788
3-octadecyldocosan-1-amine
CID 175605892
nonadecane-1,13-diamine
CID 102135569
octadecane-1,5-diamine
CID 154229011

Frequently Asked Questions

What is the IUPAC name of nonane-1,3,4-triamine?
The IUPAC name of nonane-1,3,4-triamine (CID 140867802) is nonane-1,3,4-triamine.
What is the SMILES notation for nonane-1,3,4-triamine?
The canonical SMILES for nonane-1,3,4-triamine is CCCCCC(N)C(N)CCN.
What is the InChIKey of nonane-1,3,4-triamine?
The InChIKey is YQHQWMADNBKNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-2-3-4-5-8(11)9(12)6-7-10/h8-9H,2-7,10-12H2,1H3.
What are the key properties of nonane-1,3,4-triamine?
nonane-1,3,4-triamine has a molecular weight of 173.30 g/mol, XLogP of 0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonane-1,3,4-triamine is sourced from PubChem (CID 140867802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).