6,6-dimethyl-N,N-dipropylbicyclo[3.1.1]hept-2-ene-2-carboxamide

C16H27NO — CID 85132665

IUPAC6,6-dimethyl-N,N-dipropylbicyclo[3.1.1]hept-2-ene-2-carboxamide
SMILESCCCN(CCC)C(=O)C1=CCC2CC1C2(C)C
InChIInChI=1S/C16H27NO/c1-5-9-17(10-6-2)15(18)13-8-7-12-11-14(13)16(12,3)4/h8,12,14H,5-7,9-11H2,1-4H3
InChIKeyAAVVJFWFQCTTRO-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.63
Rot. Bonds5

About 6,6-dimethyl-N,N-dipropylbicyclo[3.1.1]hept-2-ene-2-carboxamide

6,6-dimethyl-N,N-dipropylbicyclo[3.1.1]hept-2-ene-2-carboxamide (PubChem CID 85132665) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 6,6-dimethyl-N,N-dipropylbicyclo[3.1.1]hept-2-ene-2-carboxamide.

Molecular Properties

Compound Name6,6-dimethyl-N,N-dipropylbicyclo[3.1.1]hept-2-ene-2-carboxamide
PubChem CID85132665
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name6,6-dimethyl-N,N-dipropylbicyclo[3.1.1]hept-2-ene-2-carboxamide
SMILESCCCN(CCC)C(=O)C1=CCC2CC1C2(C)C
InChIInChI=1S/C16H27NO/c1-5-9-17(10-6-2)15(18)13-8-7-12-11-14(13)16(12,3)4/h8,12,14H,5-7,9-11H2,1-4H3
InChIKeyAAVVJFWFQCTTRO-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-N,N-dipropylbicyclo[3.1.1]hept-2-ene-2-carboxamide?
The IUPAC name of 6,6-dimethyl-N,N-dipropylbicyclo[3.1.1]hept-2-ene-2-carboxamide (CID 85132665) is 6,6-dimethyl-N,N-dipropylbicyclo[3.1.1]hept-2-ene-2-carboxamide.
What is the SMILES notation for 6,6-dimethyl-N,N-dipropylbicyclo[3.1.1]hept-2-ene-2-carboxamide?
The canonical SMILES for 6,6-dimethyl-N,N-dipropylbicyclo[3.1.1]hept-2-ene-2-carboxamide is CCCN(CCC)C(=O)C1=CCC2CC1C2(C)C.
What is the InChIKey of 6,6-dimethyl-N,N-dipropylbicyclo[3.1.1]hept-2-ene-2-carboxamide?
The InChIKey is AAVVJFWFQCTTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-9-17(10-6-2)15(18)13-8-7-12-11-14(13)16(12,3)4/h8,12,14H,5-7,9-11H2,1-4H3.
What are the key properties of 6,6-dimethyl-N,N-dipropylbicyclo[3.1.1]hept-2-ene-2-carboxamide?
6,6-dimethyl-N,N-dipropylbicyclo[3.1.1]hept-2-ene-2-carboxamide has a molecular weight of 249.40 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-N,N-dipropylbicyclo[3.1.1]hept-2-ene-2-carboxamide is sourced from PubChem (CID 85132665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).