N,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-amine

C11H21N — CID 75306408

IUPACN,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-amine
SMILESC=C(C)C1CCC(C)C(NC)C1
InChIInChI=1S/C11H21N/c1-8(2)10-6-5-9(3)11(7-10)12-4/h9-12H,1,5-7H2,2-4H3
InChIKeyYNRLAXGIZSJAKU-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.59
Rot. Bonds2

About N,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-amine

N,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-amine (PubChem CID 75306408) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-amine
PubChem CID75306408
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-amine
SMILESC=C(C)C1CCC(C)C(NC)C1
InChIInChI=1S/C11H21N/c1-8(2)10-6-5-9(3)11(7-10)12-4/h9-12H,1,5-7H2,2-4H3
InChIKeyYNRLAXGIZSJAKU-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-amine?
The IUPAC name of N,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-amine (CID 75306408) is N,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-amine.
What is the SMILES notation for N,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-amine?
The canonical SMILES for N,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-amine is C=C(C)C1CCC(C)C(NC)C1.
What is the InChIKey of N,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-amine?
The InChIKey is YNRLAXGIZSJAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-8(2)10-6-5-9(3)11(7-10)12-4/h9-12H,1,5-7H2,2-4H3.
What are the key properties of N,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-amine?
N,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-amine is sourced from PubChem (CID 75306408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).