2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine

C11H21N — CID 60688769

IUPAC2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCNC1CCCC(C)C1C
InChIInChI=1S/C11H21N/c1-4-8-12-11-7-5-6-9(2)10(11)3/h4,9-12H,1,5-8H2,2-3H3
InChIKeyTYHBEAAAFJXSQK-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.59
Rot. Bonds3

About 2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine

2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine (PubChem CID 60688769) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine
PubChem CID60688769
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCNC1CCCC(C)C1C
InChIInChI=1S/C11H21N/c1-4-8-12-11-7-5-6-9(2)10(11)3/h4,9-12H,1,5-8H2,2-3H3
InChIKeyTYHBEAAAFJXSQK-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.59
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

2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 103605044
N'-(2,3-dimethylcyclohexyl)methanediamine
CID 143582027
N-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide
CID 78908844
(1R,2S,3R)-N,2,3-trimethylcyclohexan-1-amine
CID 28584708
2-methyl-N-prop-2-enylthian-3-amine
CID 79957259
N-(3-ethenoxypropyl)-2,3-dimethylcyclohexan-1-amine
CID 64774982
2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide
CID 43087479
2-ethyl-N-prop-2-enylcyclohexan-1-amine
CID 62142413
2-[[(2,3-dimethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103234709
2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine
CID 102613972
3-[(2,3-dimethylcyclohexyl)amino]propan-1-ol
CID 60672378
1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclobutan-1-ol
CID 115692717

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine (CID 60688769) is 2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine is C=CCNC1CCCC(C)C1C.
What is the InChIKey of 2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine?
The InChIKey is TYHBEAAAFJXSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-8-12-11-7-5-6-9(2)10(11)3/h4,9-12H,1,5-8H2,2-3H3.
What are the key properties of 2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine?
2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 60688769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).