2-N-[(1-propylcyclohexyl)methyl]hept-1-ene-2,3,6-triamine

C17H35N3 — CID 167104256

IUPAC2-N-[(1-propylcyclohexyl)methyl]hept-1-ene-2,3,6-triamine
SMILESC=C(NCC1(CCC)CCCCC1)C(N)CCC(C)N
InChIInChI=1S/C17H35N3/c1-4-10-17(11-6-5-7-12-17)13-20-15(3)16(19)9-8-14(2)18/h14,16,20H,3-13,18-19H2,1-2H3
InChIKeyYPMOXPQOYQJDBQ-UHFFFAOYSA-N
MW281.49 g/mol
LogP3.30
Rot. Bonds9

About 2-N-[(1-propylcyclohexyl)methyl]hept-1-ene-2,3,6-triamine

2-N-[(1-propylcyclohexyl)methyl]hept-1-ene-2,3,6-triamine (PubChem CID 167104256) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2-N-[(1-propylcyclohexyl)methyl]hept-1-ene-2,3,6-triamine.

Molecular Properties

Compound Name2-N-[(1-propylcyclohexyl)methyl]hept-1-ene-2,3,6-triamine
PubChem CID167104256
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name2-N-[(1-propylcyclohexyl)methyl]hept-1-ene-2,3,6-triamine
SMILESC=C(NCC1(CCC)CCCCC1)C(N)CCC(C)N
InChIInChI=1S/C17H35N3/c1-4-10-17(11-6-5-7-12-17)13-20-15(3)16(19)9-8-14(2)18/h14,16,20H,3-13,18-19H2,1-2H3
InChIKeyYPMOXPQOYQJDBQ-UHFFFAOYSA-N
XLogP3.30
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-propylcyclohexyl)methyl]hept-1-ene-2,3,6-triamine?
The IUPAC name of 2-N-[(1-propylcyclohexyl)methyl]hept-1-ene-2,3,6-triamine (CID 167104256) is 2-N-[(1-propylcyclohexyl)methyl]hept-1-ene-2,3,6-triamine.
What is the SMILES notation for 2-N-[(1-propylcyclohexyl)methyl]hept-1-ene-2,3,6-triamine?
The canonical SMILES for 2-N-[(1-propylcyclohexyl)methyl]hept-1-ene-2,3,6-triamine is C=C(NCC1(CCC)CCCCC1)C(N)CCC(C)N.
What is the InChIKey of 2-N-[(1-propylcyclohexyl)methyl]hept-1-ene-2,3,6-triamine?
The InChIKey is YPMOXPQOYQJDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-10-17(11-6-5-7-12-17)13-20-15(3)16(19)9-8-14(2)18/h14,16,20H,3-13,18-19H2,1-2H3.
What are the key properties of 2-N-[(1-propylcyclohexyl)methyl]hept-1-ene-2,3,6-triamine?
2-N-[(1-propylcyclohexyl)methyl]hept-1-ene-2,3,6-triamine has a molecular weight of 281.49 g/mol, XLogP of 3.30, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-propylcyclohexyl)methyl]hept-1-ene-2,3,6-triamine is sourced from PubChem (CID 167104256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).