5-butan-2-ylidene-N,9-dimethyl-N-[2-(2-propylcyclobutyl)ethyl]deca-7,9-dien-3-amine

C25H45N — CID 123205816

IUPAC5-butan-2-ylidene-N,9-dimethyl-N-[2-(2-propylcyclobutyl)ethyl]deca-7,9-dien-3-amine
SMILESC=C(C)C=CCC(CC(CC)N(C)CCC1CCC1CCC)=C(C)CC
InChIInChI=1S/C25H45N/c1-8-12-22-15-16-23(22)17-18-26(7)25(10-3)19-24(21(6)9-2)14-11-13-20(4)5/h11,13,22-23,25H,4,8-10,12,14-19H2,1-3,5-7H3
InChIKeyOKYFLECZXWAFSV-UHFFFAOYSA-N
MW359.64 g/mol
LogP7.55
Rot. Bonds13

About 5-butan-2-ylidene-N,9-dimethyl-N-[2-(2-propylcyclobutyl)ethyl]deca-7,9-dien-3-amine

5-butan-2-ylidene-N,9-dimethyl-N-[2-(2-propylcyclobutyl)ethyl]deca-7,9-dien-3-amine (PubChem CID 123205816) has the molecular formula C25H45N and a molecular weight of 359.64 g/mol. Its IUPAC name is 5-butan-2-ylidene-N,9-dimethyl-N-[2-(2-propylcyclobutyl)ethyl]deca-7,9-dien-3-amine.

Molecular Properties

Compound Name5-butan-2-ylidene-N,9-dimethyl-N-[2-(2-propylcyclobutyl)ethyl]deca-7,9-dien-3-amine
PubChem CID123205816
Molecular FormulaC25H45N
Molecular Weight359.64 g/mol
Exact Mass359.36
IUPAC Name5-butan-2-ylidene-N,9-dimethyl-N-[2-(2-propylcyclobutyl)ethyl]deca-7,9-dien-3-amine
SMILESC=C(C)C=CCC(CC(CC)N(C)CCC1CCC1CCC)=C(C)CC
InChIInChI=1S/C25H45N/c1-8-12-22-15-16-23(22)17-18-26(7)25(10-3)19-24(21(6)9-2)14-11-13-20(4)5/h11,13,22-23,25H,4,8-10,12,14-19H2,1-3,5-7H3
InChIKeyOKYFLECZXWAFSV-UHFFFAOYSA-N
XLogP7.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.64
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-ylidene-N,9-dimethyl-N-[2-(2-propylcyclobutyl)ethyl]deca-7,9-dien-3-amine?
The IUPAC name of 5-butan-2-ylidene-N,9-dimethyl-N-[2-(2-propylcyclobutyl)ethyl]deca-7,9-dien-3-amine (CID 123205816) is 5-butan-2-ylidene-N,9-dimethyl-N-[2-(2-propylcyclobutyl)ethyl]deca-7,9-dien-3-amine.
What is the SMILES notation for 5-butan-2-ylidene-N,9-dimethyl-N-[2-(2-propylcyclobutyl)ethyl]deca-7,9-dien-3-amine?
The canonical SMILES for 5-butan-2-ylidene-N,9-dimethyl-N-[2-(2-propylcyclobutyl)ethyl]deca-7,9-dien-3-amine is C=C(C)C=CCC(CC(CC)N(C)CCC1CCC1CCC)=C(C)CC.
What is the InChIKey of 5-butan-2-ylidene-N,9-dimethyl-N-[2-(2-propylcyclobutyl)ethyl]deca-7,9-dien-3-amine?
The InChIKey is OKYFLECZXWAFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45N/c1-8-12-22-15-16-23(22)17-18-26(7)25(10-3)19-24(21(6)9-2)14-11-13-20(4)5/h11,13,22-23,25H,4,8-10,12,14-19H2,1-3,5-7H3.
What are the key properties of 5-butan-2-ylidene-N,9-dimethyl-N-[2-(2-propylcyclobutyl)ethyl]deca-7,9-dien-3-amine?
5-butan-2-ylidene-N,9-dimethyl-N-[2-(2-propylcyclobutyl)ethyl]deca-7,9-dien-3-amine has a molecular weight of 359.64 g/mol, XLogP of 7.55, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-ylidene-N,9-dimethyl-N-[2-(2-propylcyclobutyl)ethyl]deca-7,9-dien-3-amine is sourced from PubChem (CID 123205816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).