N-[2-(2-methylidenecyclohexyl)ethyl]propan-2-amine

C12H23N — CID 143058142

IUPACN-[2-(2-methylidenecyclohexyl)ethyl]propan-2-amine
SMILESC=C1CCCCC1CCNC(C)C
InChIInChI=1S/C12H23N/c1-10(2)13-9-8-12-7-5-4-6-11(12)3/h10,12-13H,3-9H2,1-2H3
InChIKeyQTJTVUIGXHUJAS-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.12
Rot. Bonds4

About N-[2-(2-methylidenecyclohexyl)ethyl]propan-2-amine

N-[2-(2-methylidenecyclohexyl)ethyl]propan-2-amine (PubChem CID 143058142) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-[2-(2-methylidenecyclohexyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylidenecyclohexyl)ethyl]propan-2-amine
PubChem CID143058142
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-[2-(2-methylidenecyclohexyl)ethyl]propan-2-amine
SMILESC=C1CCCCC1CCNC(C)C
InChIInChI=1S/C12H23N/c1-10(2)13-9-8-12-7-5-4-6-11(12)3/h10,12-13H,3-9H2,1-2H3
InChIKeyQTJTVUIGXHUJAS-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.12
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-(2-methylidenecyclohexyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2-methylidenecyclohexyl)ethyl]propan-2-amine (CID 143058142) is N-[2-(2-methylidenecyclohexyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-methylidenecyclohexyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-methylidenecyclohexyl)ethyl]propan-2-amine is C=C1CCCCC1CCNC(C)C.
What is the InChIKey of N-[2-(2-methylidenecyclohexyl)ethyl]propan-2-amine?
The InChIKey is QTJTVUIGXHUJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)13-9-8-12-7-5-4-6-11(12)3/h10,12-13H,3-9H2,1-2H3.
What are the key properties of N-[2-(2-methylidenecyclohexyl)ethyl]propan-2-amine?
N-[2-(2-methylidenecyclohexyl)ethyl]propan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylidenecyclohexyl)ethyl]propan-2-amine is sourced from PubChem (CID 143058142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).