4-(2-methylbutan-2-yl)-N-prop-2-enylcyclohexan-1-amine

C14H27N — CID 28555084

IUPAC4-(2-methylbutan-2-yl)-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCNC1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C14H27N/c1-5-11-15-13-9-7-12(8-10-13)14(3,4)6-2/h5,12-13,15H,1,6-11H2,2-4H3
InChIKeyKWGIEKXDGSFYSK-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.76
Rot. Bonds5

About 4-(2-methylbutan-2-yl)-N-prop-2-enylcyclohexan-1-amine

4-(2-methylbutan-2-yl)-N-prop-2-enylcyclohexan-1-amine (PubChem CID 28555084) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-prop-2-enylcyclohexan-1-amine
PubChem CID28555084
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name4-(2-methylbutan-2-yl)-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCNC1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C14H27N/c1-5-11-15-13-9-7-12(8-10-13)14(3,4)6-2/h5,12-13,15H,1,6-11H2,2-4H3
InChIKeyKWGIEKXDGSFYSK-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.76
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 4-(2-methylbutan-2-yl)-N-prop-2-enylcyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-prop-2-enylcyclohexan-1-amine (CID 28555084) is 4-(2-methylbutan-2-yl)-N-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-prop-2-enylcyclohexan-1-amine is C=CCNC1CCC(C(C)(C)CC)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-prop-2-enylcyclohexan-1-amine?
The InChIKey is KWGIEKXDGSFYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-5-11-15-13-9-7-12(8-10-13)14(3,4)6-2/h5,12-13,15H,1,6-11H2,2-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-prop-2-enylcyclohexan-1-amine?
4-(2-methylbutan-2-yl)-N-prop-2-enylcyclohexan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 28555084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).