2-imino-3-(6-methylhept-6-enyl)-5-methylidene-N-propylcyclohex-3-en-1-amine

C18H30N2 — CID 163746263

IUPAC2-imino-3-(6-methylhept-6-enyl)-5-methylidene-N-propylcyclohex-3-en-1-amine
SMILES[H]/N=C1\C(CCCCCC(=C)C)=CC(=C)CC1NCCC
InChIInChI=1S/C18H30N2/c1-5-11-20-17-13-15(4)12-16(18(17)19)10-8-6-7-9-14(2)3/h12,17,19-20H,2,4-11,13H2,1,3H3/b19-18+
InChIKeyLMDMOHCPOJXFBA-VHEBQXMUSA-N
MW274.45 g/mol
LogP4.79
Rot. Bonds9

About 2-imino-3-(6-methylhept-6-enyl)-5-methylidene-N-propylcyclohex-3-en-1-amine

2-imino-3-(6-methylhept-6-enyl)-5-methylidene-N-propylcyclohex-3-en-1-amine (PubChem CID 163746263) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-imino-3-(6-methylhept-6-enyl)-5-methylidene-N-propylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name2-imino-3-(6-methylhept-6-enyl)-5-methylidene-N-propylcyclohex-3-en-1-amine
PubChem CID163746263
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-imino-3-(6-methylhept-6-enyl)-5-methylidene-N-propylcyclohex-3-en-1-amine
SMILES[H]/N=C1\C(CCCCCC(=C)C)=CC(=C)CC1NCCC
InChIInChI=1S/C18H30N2/c1-5-11-20-17-13-15(4)12-16(18(17)19)10-8-6-7-9-14(2)3/h12,17,19-20H,2,4-11,13H2,1,3H3/b19-18+
InChIKeyLMDMOHCPOJXFBA-VHEBQXMUSA-N
XLogP4.79
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-(2-pentyliminopropylidene)dec-2-en-2-amine
CID 59120187
1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine
CID 91539250
3-Methyl-5-[2-(propan-2-ylamino)ethylimino]cyclohex-3-en-1-amine
CID 123513563
5-[2-(Ethylamino)ethylimino]-3-methylcyclohex-3-en-1-amine
CID 123522911
(7Z,9E)-7-ethyl-6-methylidene-4-methylimino-N-propan-2-yldodeca-7,9-dien-3-amine
CID 130374413
1-(4-methylidene-2,3,5,6-tetrahydro-1H-quinolin-8-yl)ethanimine
CID 134364137
N-ethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-amine
CID 134549460
(Z)-N-methyl-1-[5-methyl-6-[(Z)-5-(1,2,3,6-tetrahydropyridin-5-yl)pent-4-enyl]cyclohexa-1,5-dien-1-yl]but-2-en-1-imine
CID 139353322
ethane;ethene;(5Z)-2-ethenyl-3-ethyl-N-methyl-5-[(Z)-5-methyl-4-methylidenehex-2-enylidene]cyclohex-2-en-1-imine;heptane;N-methylbutan-1-amine;propane
CID 142047009
1-[[(2Z)-4-ethyl-2-hydrazinylidene-3-[(Z)-prop-1-enyl]cyclohept-3-en-1-yl]amino]propylidenetungsten;2-methylpropane
CID 142064433
6-imino-N-methyl-2-[(Z)-prop-1-enyl]cyclohexen-1-amine
CID 142339835
(Z)-2-N-methyl-4-N-methylidene-3-(1,2,3,6-tetrahydropyridin-4-yl)but-3-ene-2,4-diimine
CID 143998352

Frequently Asked Questions

What is the IUPAC name of 2-imino-3-(6-methylhept-6-enyl)-5-methylidene-N-propylcyclohex-3-en-1-amine?
The IUPAC name of 2-imino-3-(6-methylhept-6-enyl)-5-methylidene-N-propylcyclohex-3-en-1-amine (CID 163746263) is 2-imino-3-(6-methylhept-6-enyl)-5-methylidene-N-propylcyclohex-3-en-1-amine.
What is the SMILES notation for 2-imino-3-(6-methylhept-6-enyl)-5-methylidene-N-propylcyclohex-3-en-1-amine?
The canonical SMILES for 2-imino-3-(6-methylhept-6-enyl)-5-methylidene-N-propylcyclohex-3-en-1-amine is [H]/N=C1\C(CCCCCC(=C)C)=CC(=C)CC1NCCC.
What is the InChIKey of 2-imino-3-(6-methylhept-6-enyl)-5-methylidene-N-propylcyclohex-3-en-1-amine?
The InChIKey is LMDMOHCPOJXFBA-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-11-20-17-13-15(4)12-16(18(17)19)10-8-6-7-9-14(2)3/h12,17,19-20H,2,4-11,13H2,1,3H3/b19-18+.
What are the key properties of 2-imino-3-(6-methylhept-6-enyl)-5-methylidene-N-propylcyclohex-3-en-1-amine?
2-imino-3-(6-methylhept-6-enyl)-5-methylidene-N-propylcyclohex-3-en-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.79, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-(6-methylhept-6-enyl)-5-methylidene-N-propylcyclohex-3-en-1-amine is sourced from PubChem (CID 163746263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).