N',N"-dicyclohexyl-N-prop-2-enylmethanetriamine

C16H31N3 — CID 146581503

IUPACN',N"-dicyclohexyl-N-prop-2-enylmethanetriamine
SMILESC=CCNC(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C16H31N3/c1-2-13-17-16(18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h2,14-19H,1,3-13H2
InChIKeyLBUBXZYQTXPRHW-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.89
Rot. Bonds7

About N',N"-dicyclohexyl-N-prop-2-enylmethanetriamine

N',N"-dicyclohexyl-N-prop-2-enylmethanetriamine (PubChem CID 146581503) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N',N"-dicyclohexyl-N-prop-2-enylmethanetriamine.

Molecular Properties

Compound NameN',N"-dicyclohexyl-N-prop-2-enylmethanetriamine
PubChem CID146581503
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN',N"-dicyclohexyl-N-prop-2-enylmethanetriamine
SMILESC=CCNC(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C16H31N3/c1-2-13-17-16(18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h2,14-19H,1,3-13H2
InChIKeyLBUBXZYQTXPRHW-UHFFFAOYSA-N
XLogP2.89
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;N-prop-2-enylcyclohexanamine
CID 22328045
methanamine;N-prop-2-enylcyclohexanamine
CID 22649764
2-cyclopentyl-2-(prop-2-enylamino)acetic acid
CID 62352508
N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine
CID 43110950
1-chloro-N'-[4-(2-cyclohexylhydrazinyl)butyl]-N-prop-2-enylethane-1,2-diamine
CID 57213268
N-cyclohexylprop-2-enamide;N-prop-2-enylprop-2-enamide
CID 174429231
2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide
CID 115903241
N-but-3-en-2-ylcyclopentanamine
CID 115727919
2-(cyclopentylamino)pent-4-enoic acid
CID 82933340
N-prop-2-enylpropan-2-amine
CID 520711
N-propan-2-ylcycloheptanamine
CID 42562651
N-prop-2-enylpropan-2-amine
CID 159979595

Frequently Asked Questions

What is the IUPAC name of N',N"-dicyclohexyl-N-prop-2-enylmethanetriamine?
The IUPAC name of N',N"-dicyclohexyl-N-prop-2-enylmethanetriamine (CID 146581503) is N',N"-dicyclohexyl-N-prop-2-enylmethanetriamine.
What is the SMILES notation for N',N"-dicyclohexyl-N-prop-2-enylmethanetriamine?
The canonical SMILES for N',N"-dicyclohexyl-N-prop-2-enylmethanetriamine is C=CCNC(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of N',N"-dicyclohexyl-N-prop-2-enylmethanetriamine?
The InChIKey is LBUBXZYQTXPRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-2-13-17-16(18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h2,14-19H,1,3-13H2.
What are the key properties of N',N"-dicyclohexyl-N-prop-2-enylmethanetriamine?
N',N"-dicyclohexyl-N-prop-2-enylmethanetriamine has a molecular weight of 265.44 g/mol, XLogP of 2.89, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N"-dicyclohexyl-N-prop-2-enylmethanetriamine is sourced from PubChem (CID 146581503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).