(4S)-N,N-dimethyl-4-(1-methylcyclopropyl)-2-[(E)-prop-1-enyl]cyclohexen-1-amine

C15H25N — CID 155331276

IUPAC(4S)-N,N-dimethyl-4-(1-methylcyclopropyl)-2-[(E)-prop-1-enyl]cyclohexen-1-amine
SMILESC/C=C/C1=C(N(C)C)CC[C@H](C2(C)CC2)C1
InChIInChI=1S/C15H25N/c1-5-6-12-11-13(15(2)9-10-15)7-8-14(12)16(3)4/h5-6,13H,7-11H2,1-4H3/b6-5+/t13-/m0/s1
InChIKeyGADYKMPTQFHREE-GFUIURDCSA-N
MW219.37 g/mol
LogP3.98
Rot. Bonds3

About (4S)-N,N-dimethyl-4-(1-methylcyclopropyl)-2-[(E)-prop-1-enyl]cyclohexen-1-amine

(4S)-N,N-dimethyl-4-(1-methylcyclopropyl)-2-[(E)-prop-1-enyl]cyclohexen-1-amine (PubChem CID 155331276) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (4S)-N,N-dimethyl-4-(1-methylcyclopropyl)-2-[(E)-prop-1-enyl]cyclohexen-1-amine.

Molecular Properties

Compound Name(4S)-N,N-dimethyl-4-(1-methylcyclopropyl)-2-[(E)-prop-1-enyl]cyclohexen-1-amine
PubChem CID155331276
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(4S)-N,N-dimethyl-4-(1-methylcyclopropyl)-2-[(E)-prop-1-enyl]cyclohexen-1-amine
SMILESC/C=C/C1=C(N(C)C)CC[C@H](C2(C)CC2)C1
InChIInChI=1S/C15H25N/c1-5-6-12-11-13(15(2)9-10-15)7-8-14(12)16(3)4/h5-6,13H,7-11H2,1-4H3/b6-5+/t13-/m0/s1
InChIKeyGADYKMPTQFHREE-GFUIURDCSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-[2-[(3Z)-2,3-dimethylhexa-3,5-dienyl]-3-methylidenecyclopropyl]ethyl]-2-[(3E)-4-(4-fluorocyclohexa-2,4-dien-1-yl)buta-1,3-dien-2-yl]-N,N-dimethyl-3-propylcyclopropen-1-amine
CID 166689104
3-[[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-1-methyl-2H-pyridine
CID 54493781
N-[[2-[(Z)-hex-3-enyl]-1-methylcyclopropyl]methyl]-N-methylprop-1-en-2-amine
CID 68302049
N-[[2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropyl]methyl]-N-prop-2-enylprop-1-en-2-amine
CID 68302117
N,2,4-trimethyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]pent-2-en-3-amine
CID 68302427
1-[2-[(Z)-hex-3-enyl]cyclopropyl]-N,N-dimethylethenamine
CID 68302431
N-(cyclopropylmethyl)-2,3,3,7-tetramethyl-N-[(3E)-penta-1,3-dien-2-yl]oct-6-en-1-amine
CID 88928072
4-methyl-N-[[(1R,2S)-2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-propylpenta-1,3-dien-2-amine
CID 88928075
4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-prop-2-enylpenta-1,3-dien-2-amine
CID 88928101
N,4-dimethyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,2-dien-3-amine
CID 88928153
N-butyl-4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine
CID 88928154
N,4-dimethyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine
CID 88928156

Frequently Asked Questions

What is the IUPAC name of (4S)-N,N-dimethyl-4-(1-methylcyclopropyl)-2-[(E)-prop-1-enyl]cyclohexen-1-amine?
The IUPAC name of (4S)-N,N-dimethyl-4-(1-methylcyclopropyl)-2-[(E)-prop-1-enyl]cyclohexen-1-amine (CID 155331276) is (4S)-N,N-dimethyl-4-(1-methylcyclopropyl)-2-[(E)-prop-1-enyl]cyclohexen-1-amine.
What is the SMILES notation for (4S)-N,N-dimethyl-4-(1-methylcyclopropyl)-2-[(E)-prop-1-enyl]cyclohexen-1-amine?
The canonical SMILES for (4S)-N,N-dimethyl-4-(1-methylcyclopropyl)-2-[(E)-prop-1-enyl]cyclohexen-1-amine is C/C=C/C1=C(N(C)C)CC[C@H](C2(C)CC2)C1.
What is the InChIKey of (4S)-N,N-dimethyl-4-(1-methylcyclopropyl)-2-[(E)-prop-1-enyl]cyclohexen-1-amine?
The InChIKey is GADYKMPTQFHREE-GFUIURDCSA-N. The full InChI is InChI=1S/C15H25N/c1-5-6-12-11-13(15(2)9-10-15)7-8-14(12)16(3)4/h5-6,13H,7-11H2,1-4H3/b6-5+/t13-/m0/s1.
What are the key properties of (4S)-N,N-dimethyl-4-(1-methylcyclopropyl)-2-[(E)-prop-1-enyl]cyclohexen-1-amine?
(4S)-N,N-dimethyl-4-(1-methylcyclopropyl)-2-[(E)-prop-1-enyl]cyclohexen-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,N-dimethyl-4-(1-methylcyclopropyl)-2-[(E)-prop-1-enyl]cyclohexen-1-amine is sourced from PubChem (CID 155331276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).