1-N',1-N",1-N"-tris(prop-2-enyl)hexane-1,1,1-triamine

C15H29N3 — CID 118539201

IUPAC1-N',1-N",1-N"-tris(prop-2-enyl)hexane-1,1,1-triamine
SMILESC=CCNC(N)(CCCCC)N(CC=C)CC=C
InChIInChI=1S/C15H29N3/c1-5-9-10-11-15(16,17-12-6-2)18(13-7-3)14-8-4/h6-8,17H,2-5,9-14,16H2,1H3
InChIKeyJHSFTFYNWAPHHS-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.63
Rot. Bonds12

About 1-N',1-N",1-N"-tris(prop-2-enyl)hexane-1,1,1-triamine

1-N',1-N",1-N"-tris(prop-2-enyl)hexane-1,1,1-triamine (PubChem CID 118539201) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-N',1-N",1-N"-tris(prop-2-enyl)hexane-1,1,1-triamine.

Molecular Properties

Compound Name1-N',1-N",1-N"-tris(prop-2-enyl)hexane-1,1,1-triamine
PubChem CID118539201
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-N',1-N",1-N"-tris(prop-2-enyl)hexane-1,1,1-triamine
SMILESC=CCNC(N)(CCCCC)N(CC=C)CC=C
InChIInChI=1S/C15H29N3/c1-5-9-10-11-15(16,17-12-6-2)18(13-7-3)14-8-4/h6-8,17H,2-5,9-14,16H2,1H3
InChIKeyJHSFTFYNWAPHHS-UHFFFAOYSA-N
XLogP2.63
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-N',1-N",1-N"-tris(prop-2-enyl)hexane-1,1,1-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N',1-N",1-N"-tris(prop-2-enyl)dodecane-1,1,1-triamine
CID 118539128
N-icosan-2-yl-N-prop-2-enylicosan-2-amine;hydrochloride
CID 175193055
ethyl 2-methyl-2-(prop-2-enylamino)octanoate
CID 55063200
N,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine
CID 174680920
N,2-dimethyl-N-prop-2-enyltridecan-2-amine
CID 174634472
2-N,2-N-dibromo-2,3-dimethyl-3-N-octyl-3-N-prop-2-enylbutane-2,3-diamine
CID 141468529
N,N-bis(prop-2-enyl)undecan-1-amine
CID 10156078
2-methyl-N-prop-2-enylpentan-2-amine
CID 115600901
4-prop-2-enylpentadec-1-en-4-amine;hydrobromide
CID 175561097
1-prop-2-enyl-1-propylhydrazine
CID 87835560
3-ethyl-3-N,3-N-bis(prop-2-enyl)pentane-1,3-diamine;dihydrochloride
CID 139891240
N-methyl-N-prop-2-enylhexadecan-1-amine
CID 100953658

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N",1-N"-tris(prop-2-enyl)hexane-1,1,1-triamine?
The IUPAC name of 1-N',1-N",1-N"-tris(prop-2-enyl)hexane-1,1,1-triamine (CID 118539201) is 1-N',1-N",1-N"-tris(prop-2-enyl)hexane-1,1,1-triamine.
What is the SMILES notation for 1-N',1-N",1-N"-tris(prop-2-enyl)hexane-1,1,1-triamine?
The canonical SMILES for 1-N',1-N",1-N"-tris(prop-2-enyl)hexane-1,1,1-triamine is C=CCNC(N)(CCCCC)N(CC=C)CC=C.
What is the InChIKey of 1-N',1-N",1-N"-tris(prop-2-enyl)hexane-1,1,1-triamine?
The InChIKey is JHSFTFYNWAPHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-9-10-11-15(16,17-12-6-2)18(13-7-3)14-8-4/h6-8,17H,2-5,9-14,16H2,1H3.
What are the key properties of 1-N',1-N",1-N"-tris(prop-2-enyl)hexane-1,1,1-triamine?
1-N',1-N",1-N"-tris(prop-2-enyl)hexane-1,1,1-triamine has a molecular weight of 251.42 g/mol, XLogP of 2.63, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N",1-N"-tris(prop-2-enyl)hexane-1,1,1-triamine is sourced from PubChem (CID 118539201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).