nonane-1,1,1-triamine

C9H23N3 — CID 18954154

IUPACnonane-1,1,1-triamine
SMILESCCCCCCCCC(N)(N)N
InChIInChI=1S/C9H23N3/c1-2-3-4-5-6-7-8-9(10,11)12/h2-8,10-12H2,1H3
InChIKeyGVXZWYIJKUYKNR-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.27
Rot. Bonds7

About nonane-1,1,1-triamine

nonane-1,1,1-triamine (PubChem CID 18954154) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is nonane-1,1,1-triamine.

Molecular Properties

Compound Namenonane-1,1,1-triamine
PubChem CID18954154
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC Namenonane-1,1,1-triamine
SMILESCCCCCCCCC(N)(N)N
InChIInChI=1S/C9H23N3/c1-2-3-4-5-6-7-8-9(10,11)12/h2-8,10-12H2,1H3
InChIKeyGVXZWYIJKUYKNR-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

11-decylhenicosan-11-amine
CID 19847882
tetracosane-6,6-diamine
CID 154005419
2-octyldecane-1,2-diamine
CID 88831195
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
5-butylhexadecan-5-amine
CID 22244897
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
12-undecyltricosan-12-amine;hydrate
CID 173445536
12-undecyltetracosan-12-amine;hydrochloride
CID 173403860
6,7-dipentyldodecane-6,7-diamine
CID 23346628
3-ethylnonadecan-3-amine
CID 19028625

Frequently Asked Questions

What is the IUPAC name of nonane-1,1,1-triamine?
The IUPAC name of nonane-1,1,1-triamine (CID 18954154) is nonane-1,1,1-triamine.
What is the SMILES notation for nonane-1,1,1-triamine?
The canonical SMILES for nonane-1,1,1-triamine is CCCCCCCCC(N)(N)N.
What is the InChIKey of nonane-1,1,1-triamine?
The InChIKey is GVXZWYIJKUYKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-2-3-4-5-6-7-8-9(10,11)12/h2-8,10-12H2,1H3.
What are the key properties of nonane-1,1,1-triamine?
nonane-1,1,1-triamine has a molecular weight of 173.30 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonane-1,1,1-triamine is sourced from PubChem (CID 18954154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).