N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide

C16H27NO — CID 25104904

IUPACN-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide
SMILESCC(C)=CCC[C@](C)(NC=O)[C@H]1CC=C(C)CC1
InChIInChI=1S/C16H27NO/c1-13(2)6-5-11-16(4,17-12-18)15-9-7-14(3)8-10-15/h6-7,12,15H,5,8-11H2,1-4H3,(H,17,18)/t15-,16-/m0/s1
InChIKeyIDWULDRBNICSKT-HOTGVXAUSA-N
MW249.40 g/mol
LogP3.98
Rot. Bonds6

About N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide

N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide (PubChem CID 25104904) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide.

Molecular Properties

Compound NameN-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide
PubChem CID25104904
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide
SMILESCC(C)=CCC[C@](C)(NC=O)[C@H]1CC=C(C)CC1
InChIInChI=1S/C16H27NO/c1-13(2)6-5-11-16(4,17-12-18)15-9-7-14(3)8-10-15/h6-7,12,15H,5,8-11H2,1-4H3,(H,17,18)/t15-,16-/m0/s1
InChIKeyIDWULDRBNICSKT-HOTGVXAUSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.98
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-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide?
The IUPAC name of N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide (CID 25104904) is N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide.
What is the SMILES notation for N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide?
The canonical SMILES for N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide is CC(C)=CCC[C@](C)(NC=O)[C@H]1CC=C(C)CC1.
What is the InChIKey of N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide?
The InChIKey is IDWULDRBNICSKT-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(2)6-5-11-16(4,17-12-18)15-9-7-14(3)8-10-15/h6-7,12,15H,5,8-11H2,1-4H3,(H,17,18)/t15-,16-/m0/s1.
What are the key properties of N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide?
N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide has a molecular weight of 249.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide is sourced from PubChem (CID 25104904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).