2,6-dimethyl-4-[(Z)-2-methyl-3-(propan-2-ylamino)prop-2-enyl]-N-propan-2-ylcyclohexan-1-amine

C18H36N2 — CID 145271371

IUPAC2,6-dimethyl-4-[(Z)-2-methyl-3-(propan-2-ylamino)prop-2-enyl]-N-propan-2-ylcyclohexan-1-amine
SMILESC/C(=C/NC(C)C)CC1CC(C)C(NC(C)C)C(C)C1
InChIInChI=1S/C18H36N2/c1-12(2)19-11-14(5)8-17-9-15(6)18(16(7)10-17)20-13(3)4/h11-13,15-20H,8-10H2,1-7H3/b14-11-
InChIKeyPNHKMHXNFSOVFY-KAMYIIQDSA-N
MW280.50 g/mol
LogP4.33
Rot. Bonds6

About 2,6-dimethyl-4-[(Z)-2-methyl-3-(propan-2-ylamino)prop-2-enyl]-N-propan-2-ylcyclohexan-1-amine

2,6-dimethyl-4-[(Z)-2-methyl-3-(propan-2-ylamino)prop-2-enyl]-N-propan-2-ylcyclohexan-1-amine (PubChem CID 145271371) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(Z)-2-methyl-3-(propan-2-ylamino)prop-2-enyl]-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-4-[(Z)-2-methyl-3-(propan-2-ylamino)prop-2-enyl]-N-propan-2-ylcyclohexan-1-amine
PubChem CID145271371
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2,6-dimethyl-4-[(Z)-2-methyl-3-(propan-2-ylamino)prop-2-enyl]-N-propan-2-ylcyclohexan-1-amine
SMILESC/C(=C/NC(C)C)CC1CC(C)C(NC(C)C)C(C)C1
InChIInChI=1S/C18H36N2/c1-12(2)19-11-14(5)8-17-9-15(6)18(16(7)10-17)20-13(3)4/h11-13,15-20H,8-10H2,1-7H3/b14-11-
InChIKeyPNHKMHXNFSOVFY-KAMYIIQDSA-N
XLogP4.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,6-dimethyl-4-[(Z)-2-methyl-3-(propan-2-ylamino)prop-2-enyl]-N-propan-2-ylcyclohexan-1-amine with MolForge

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Related Compounds

(7aR)-3-[(1-ethylpyrrolidin-2-yl)methyl]-7-fluoro-5-methyl-3a,4,5,6,7,7a-hexahydro-1H-indole
CID 167204505
4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]-3-methyl-cyclohexyl]methyl]-2-methyl-cyclohexanamine
CID 6480559
N,2-bis(prop-2-enyl)-4-[[3-prop-2-enyl-4-(prop-2-enylamino)cyclohexyl]methyl]cyclohexan-1-amine
CID 67621916
(E)-2-butyl-N'-[1-[3-methyl-5-(4-methylcyclohexyl)cyclohexyl]ethyl]prop-1-ene-1,3-diamine
CID 70254094
N-methyl-4-(3-methylbut-1-en-2-yl)cyclohexan-1-amine
CID 90730487
5-ethyl-N-(5-methylhex-5-en-2-yl)decan-3-amine
CID 123477008
3-prop-1-en-2-yl-N-propyldecan-2-amine
CID 123855239
2,4,6-trimethyl-N-[1-(3-prop-1-en-2-ylcyclopentyl)ethyl]cyclohexan-1-amine
CID 123923359
3-ethyl-N-[1-(3-ethyl-5-methylidenecyclohexyl)ethenyl]-5-methylidenecyclohexan-1-amine
CID 126516019
N-(3-cyclooctylbut-3-en-2-yl)cyclohexanamine
CID 129076822
N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]butan-2-amine
CID 130194927
trans-(1R,2S)-N-methyl-2-[2-(methylamino)ethyl]-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine
CID 135137626

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(Z)-2-methyl-3-(propan-2-ylamino)prop-2-enyl]-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2,6-dimethyl-4-[(Z)-2-methyl-3-(propan-2-ylamino)prop-2-enyl]-N-propan-2-ylcyclohexan-1-amine (CID 145271371) is 2,6-dimethyl-4-[(Z)-2-methyl-3-(propan-2-ylamino)prop-2-enyl]-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2,6-dimethyl-4-[(Z)-2-methyl-3-(propan-2-ylamino)prop-2-enyl]-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2,6-dimethyl-4-[(Z)-2-methyl-3-(propan-2-ylamino)prop-2-enyl]-N-propan-2-ylcyclohexan-1-amine is C/C(=C/NC(C)C)CC1CC(C)C(NC(C)C)C(C)C1.
What is the InChIKey of 2,6-dimethyl-4-[(Z)-2-methyl-3-(propan-2-ylamino)prop-2-enyl]-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is PNHKMHXNFSOVFY-KAMYIIQDSA-N. The full InChI is InChI=1S/C18H36N2/c1-12(2)19-11-14(5)8-17-9-15(6)18(16(7)10-17)20-13(3)4/h11-13,15-20H,8-10H2,1-7H3/b14-11-.
What are the key properties of 2,6-dimethyl-4-[(Z)-2-methyl-3-(propan-2-ylamino)prop-2-enyl]-N-propan-2-ylcyclohexan-1-amine?
2,6-dimethyl-4-[(Z)-2-methyl-3-(propan-2-ylamino)prop-2-enyl]-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(Z)-2-methyl-3-(propan-2-ylamino)prop-2-enyl]-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 145271371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).