N-methyl-4-(3-methylbut-1-en-2-yl)cyclohexan-1-amine

C12H23N — CID 90730487

IUPACN-methyl-4-(3-methylbut-1-en-2-yl)cyclohexan-1-amine
SMILESC=C(C(C)C)C1CCC(NC)CC1
InChIInChI=1S/C12H23N/c1-9(2)10(3)11-5-7-12(13-4)8-6-11/h9,11-13H,3,5-8H2,1-2,4H3
InChIKeyRISQNNQJCJPNQP-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.98
Rot. Bonds3

About N-methyl-4-(3-methylbut-1-en-2-yl)cyclohexan-1-amine

N-methyl-4-(3-methylbut-1-en-2-yl)cyclohexan-1-amine (PubChem CID 90730487) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-methyl-4-(3-methylbut-1-en-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(3-methylbut-1-en-2-yl)cyclohexan-1-amine
PubChem CID90730487
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-methyl-4-(3-methylbut-1-en-2-yl)cyclohexan-1-amine
SMILESC=C(C(C)C)C1CCC(NC)CC1
InChIInChI=1S/C12H23N/c1-9(2)10(3)11-5-7-12(13-4)8-6-11/h9,11-13H,3,5-8H2,1-2,4H3
InChIKeyRISQNNQJCJPNQP-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-4-(3-methylbut-1-en-2-yl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-methyl-4-N-prop-1-en-2-ylcyclohexane-1,4-diamine
CID 89294364
3,4-dimethylhexa-1,4,5-trien-2-ylcyclopropane
CID 123939025
1-butyl-4-(3-methylbut-1-en-2-yl)cyclohexane
CID 156858767
1-(3-methylbut-1-en-2-yl)-3-propan-2-ylcyclobutane
CID 91035577
1-[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]ethenol
CID 58404352
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
N-(3-cyclooctylbut-3-en-2-yl)cyclohexanamine
CID 129076822
N-cyclopropyl-2-[4-(methylamino)piperidin-1-yl]propanamide
CID 60820306
ethane;1-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine;molecular hydrogen
CID 177228203
N-(3-methylbut-1-en-2-yl)-4-propylcyclohexan-1-amine
CID 174316487
methyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653640
1-cyclopropyl-4-methyl-2-methylidenepentane-1,3-dione
CID 140656143

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-methylbut-1-en-2-yl)cyclohexan-1-amine?
The IUPAC name of N-methyl-4-(3-methylbut-1-en-2-yl)cyclohexan-1-amine (CID 90730487) is N-methyl-4-(3-methylbut-1-en-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-(3-methylbut-1-en-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-(3-methylbut-1-en-2-yl)cyclohexan-1-amine is C=C(C(C)C)C1CCC(NC)CC1.
What is the InChIKey of N-methyl-4-(3-methylbut-1-en-2-yl)cyclohexan-1-amine?
The InChIKey is RISQNNQJCJPNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)10(3)11-5-7-12(13-4)8-6-11/h9,11-13H,3,5-8H2,1-2,4H3.
What are the key properties of N-methyl-4-(3-methylbut-1-en-2-yl)cyclohexan-1-amine?
N-methyl-4-(3-methylbut-1-en-2-yl)cyclohexan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-methylbut-1-en-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 90730487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).