N-(3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl)formamide

C16H27NO — CID 14336922

IUPACN-(3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl)formamide
SMILESCC(C)C1=CC2(CCC(C)(NC=O)C2)C(C)CC1
InChIInChI=1S/C16H27NO/c1-12(2)14-6-5-13(3)16(9-14)8-7-15(4,10-16)17-11-18/h9,11-13H,5-8,10H2,1-4H3,(H,17,18)
InChIKeyNLOXORYANZABDO-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.67
Rot. Bonds3

About N-(3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl)formamide

N-(3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl)formamide (PubChem CID 14336922) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl)formamide.

Molecular Properties

Compound NameN-(3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl)formamide
PubChem CID14336922
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-(3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl)formamide
SMILESCC(C)C1=CC2(CCC(C)(NC=O)C2)C(C)CC1
InChIInChI=1S/C16H27NO/c1-12(2)14-6-5-13(3)16(9-14)8-7-15(4,10-16)17-11-18/h9,11-13H,5-8,10H2,1-4H3,(H,17,18)
InChIKeyNLOXORYANZABDO-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl)formamide?
The IUPAC name of N-(3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl)formamide (CID 14336922) is N-(3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl)formamide.
What is the SMILES notation for N-(3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl)formamide?
The canonical SMILES for N-(3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl)formamide is CC(C)C1=CC2(CCC(C)(NC=O)C2)C(C)CC1.
What is the InChIKey of N-(3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl)formamide?
The InChIKey is NLOXORYANZABDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(2)14-6-5-13(3)16(9-14)8-7-15(4,10-16)17-11-18/h9,11-13H,5-8,10H2,1-4H3,(H,17,18).
What are the key properties of N-(3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl)formamide?
N-(3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl)formamide has a molecular weight of 249.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl)formamide is sourced from PubChem (CID 14336922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).