3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine

C10H19N — CID 70333286

IUPAC3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine
SMILESC=C(C)C1CCC(N)CC1C
InChIInChI=1S/C10H19N/c1-7(2)10-5-4-9(11)6-8(10)3/h8-10H,1,4-6,11H2,2-3H3
InChIKeyUFZJQXLJIDCZMH-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.33
Rot. Bonds1

About 3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine

3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine (PubChem CID 70333286) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine
PubChem CID70333286
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine
SMILESC=C(C)C1CCC(N)CC1C
InChIInChI=1S/C10H19N/c1-7(2)10-5-4-9(11)6-8(10)3/h8-10H,1,4-6,11H2,2-3H3
InChIKeyUFZJQXLJIDCZMH-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-prop-1-en-2-ylcyclohexane-1,4-diamine
CID 148827546
(1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid
CID 162343513
(1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol
CID 124537900
trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane
CID 163550244
2,3-dimethyl-5-prop-1-en-2-ylcyclopentan-1-amine
CID 131967071
4-amino-N,2-dimethyl-N-pentan-3-ylcyclohexane-1-carboxamide
CID 62783517
4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide
CID 62781325
(4-amino-2-methylcyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 62782647
(2-methyl-5-prop-1-en-2-ylcyclopentyl)methanol
CID 12634580
[(1S,2S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methanol
CID 129321353
1,2,5-trimethyl-3-prop-1-en-2-ylcyclohexane
CID 90909258
4-amino-2-methylcyclopentane-1-carboxylic acid
CID 89122843

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine?
The IUPAC name of 3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine (CID 70333286) is 3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine.
What is the SMILES notation for 3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine?
The canonical SMILES for 3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine is C=C(C)C1CCC(N)CC1C.
What is the InChIKey of 3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine?
The InChIKey is UFZJQXLJIDCZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-7(2)10-5-4-9(11)6-8(10)3/h8-10H,1,4-6,11H2,2-3H3.
What are the key properties of 3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine?
3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine is sourced from PubChem (CID 70333286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).