1-(4-hex-3-en-3-yl-2-imino-5-methylcyclohexyl)-N-methylmethanamine

C15H28N2 — CID 123165906

IUPAC1-(4-hex-3-en-3-yl-2-imino-5-methylcyclohexyl)-N-methylmethanamine
SMILES[H]/N=C1\CC(C(=CCC)CC)C(C)CC1CNC
InChIInChI=1S/C15H28N2/c1-5-7-12(6-2)14-9-15(16)13(10-17-4)8-11(14)3/h7,11,13-14,16-17H,5-6,8-10H2,1-4H3/b12-7?,16-15+
InChIKeyNAVXTZOTVQDXOY-KLACMVQISA-N
MW236.40 g/mol
LogP3.63
Rot. Bonds5

About 1-(4-hex-3-en-3-yl-2-imino-5-methylcyclohexyl)-N-methylmethanamine

1-(4-hex-3-en-3-yl-2-imino-5-methylcyclohexyl)-N-methylmethanamine (PubChem CID 123165906) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-(4-hex-3-en-3-yl-2-imino-5-methylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-hex-3-en-3-yl-2-imino-5-methylcyclohexyl)-N-methylmethanamine
PubChem CID123165906
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-(4-hex-3-en-3-yl-2-imino-5-methylcyclohexyl)-N-methylmethanamine
SMILES[H]/N=C1\CC(C(=CCC)CC)C(C)CC1CNC
InChIInChI=1S/C15H28N2/c1-5-7-12(6-2)14-9-15(16)13(10-17-4)8-11(14)3/h7,11,13-14,16-17H,5-6,8-10H2,1-4H3/b12-7?,16-15+
InChIKeyNAVXTZOTVQDXOY-KLACMVQISA-N
XLogP3.63
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hex-3-en-3-yl-2-imino-5-methylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(4-hex-3-en-3-yl-2-imino-5-methylcyclohexyl)-N-methylmethanamine (CID 123165906) is 1-(4-hex-3-en-3-yl-2-imino-5-methylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-hex-3-en-3-yl-2-imino-5-methylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-hex-3-en-3-yl-2-imino-5-methylcyclohexyl)-N-methylmethanamine is [H]/N=C1\CC(C(=CCC)CC)C(C)CC1CNC.
What is the InChIKey of 1-(4-hex-3-en-3-yl-2-imino-5-methylcyclohexyl)-N-methylmethanamine?
The InChIKey is NAVXTZOTVQDXOY-KLACMVQISA-N. The full InChI is InChI=1S/C15H28N2/c1-5-7-12(6-2)14-9-15(16)13(10-17-4)8-11(14)3/h7,11,13-14,16-17H,5-6,8-10H2,1-4H3/b12-7?,16-15+.
What are the key properties of 1-(4-hex-3-en-3-yl-2-imino-5-methylcyclohexyl)-N-methylmethanamine?
1-(4-hex-3-en-3-yl-2-imino-5-methylcyclohexyl)-N-methylmethanamine has a molecular weight of 236.40 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hex-3-en-3-yl-2-imino-5-methylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 123165906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).