8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine

C17H31N — CID 143358033

IUPAC8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine
SMILESC=C(CCC1CC1)CCC(NC(=C)C)C(C)(C)C
InChIInChI=1S/C17H31N/c1-13(2)18-16(17(4,5)6)12-8-14(3)7-9-15-10-11-15/h15-16,18H,1,3,7-12H2,2,4-6H3
InChIKeySIABCQQVWIWQHR-UHFFFAOYSA-N
MW249.44 g/mol
LogP5.05
Rot. Bonds8

About 8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine

8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine (PubChem CID 143358033) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine.

Molecular Properties

Compound Name8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine
PubChem CID143358033
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine
SMILESC=C(CCC1CC1)CCC(NC(=C)C)C(C)(C)C
InChIInChI=1S/C17H31N/c1-13(2)18-16(17(4,5)6)12-8-14(3)7-9-15-10-11-15/h15-16,18H,1,3,7-12H2,2,4-6H3
InChIKeySIABCQQVWIWQHR-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.05
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 8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine?
The IUPAC name of 8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine (CID 143358033) is 8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine.
What is the SMILES notation for 8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine?
The canonical SMILES for 8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine is C=C(CCC1CC1)CCC(NC(=C)C)C(C)(C)C.
What is the InChIKey of 8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine?
The InChIKey is SIABCQQVWIWQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-13(2)18-16(17(4,5)6)12-8-14(3)7-9-15-10-11-15/h15-16,18H,1,3,7-12H2,2,4-6H3.
What are the key properties of 8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine?
8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine has a molecular weight of 249.44 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine is sourced from PubChem (CID 143358033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).