1-[1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine

C18H35N3 — CID 97240054

IUPAC1-[1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C(C)(C)CNC[C@H]2CC=CCC2)CC1
InChIInChI=1S/C18H35N3/c1-18(2,15-19-14-16-8-6-5-7-9-16)21-12-10-17(11-13-21)20(3)4/h5-6,16-17,19H,7-15H2,1-4H3/t16-/m0/s1
InChIKeyPINXDXDNBYDOAN-INIZCTEOSA-N
MW293.50 g/mol
LogP2.74
Rot. Bonds6

About 1-[1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine

1-[1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 97240054) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-[1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine
PubChem CID97240054
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-[1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C(C)(C)CNC[C@H]2CC=CCC2)CC1
InChIInChI=1S/C18H35N3/c1-18(2,15-19-14-16-8-6-5-7-9-16)21-12-10-17(11-13-21)20(3)4/h5-6,16-17,19H,7-15H2,1-4H3/t16-/m0/s1
InChIKeyPINXDXDNBYDOAN-INIZCTEOSA-N
XLogP2.74
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine with MolForge

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Related Compounds

1-(cyclohex-3-en-1-ylmethylamino)-2-methylpentan-2-ol
CID 115756802
1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol
CID 62373536
1-[1-[(3,5-difluorophenyl)methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine
CID 75514114
2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N,N,2-trimethylpropanamide
CID 97240049
1-(cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol
CID 103838373
N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 43180683
3-(cyclohex-3-en-1-ylmethylamino)-2,3-dimethylbutan-2-ol
CID 106185997
1-(1-amino-2-methylpropan-2-yl)-N,N-dimethylpiperidin-4-amine
CID 43585866
N-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylmethanamine
CID 43215811
(2R)-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-2-methoxypropanamide
CID 95238788
1-cyclohex-3-en-1-yl-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82721137
2-methyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79708398

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine (CID 97240054) is 1-[1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(C(C)(C)CNC[C@H]2CC=CCC2)CC1.
What is the InChIKey of 1-[1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is PINXDXDNBYDOAN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H35N3/c1-18(2,15-19-14-16-8-6-5-7-9-16)21-12-10-17(11-13-21)20(3)4/h5-6,16-17,19H,7-15H2,1-4H3/t16-/m0/s1.
What are the key properties of 1-[1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine?
1-[1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 293.50 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 97240054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).