N-methyl-N-(6-methylhept-5-en-2-yl)formamide

C10H19NO — CID 165348661

IUPACN-methyl-N-(6-methylhept-5-en-2-yl)formamide
SMILESCC(C)=CCCC(C)N(C)C=O
InChIInChI=1S/C10H19NO/c1-9(2)6-5-7-10(3)11(4)8-12/h6,8,10H,5,7H2,1-4H3
InChIKeyOFWRLZFOVBVFTP-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.21
Rot. Bonds5

About N-methyl-N-(6-methylhept-5-en-2-yl)formamide

N-methyl-N-(6-methylhept-5-en-2-yl)formamide (PubChem CID 165348661) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-methyl-N-(6-methylhept-5-en-2-yl)formamide.

Molecular Properties

Compound NameN-methyl-N-(6-methylhept-5-en-2-yl)formamide
PubChem CID165348661
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-methyl-N-(6-methylhept-5-en-2-yl)formamide
SMILESCC(C)=CCCC(C)N(C)C=O
InChIInChI=1S/C10H19NO/c1-9(2)6-5-7-10(3)11(4)8-12/h6,8,10H,5,7H2,1-4H3
InChIKeyOFWRLZFOVBVFTP-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
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-methyl-N-(6-methylhept-5-en-2-yl)formamide?
The IUPAC name of N-methyl-N-(6-methylhept-5-en-2-yl)formamide (CID 165348661) is N-methyl-N-(6-methylhept-5-en-2-yl)formamide.
What is the SMILES notation for N-methyl-N-(6-methylhept-5-en-2-yl)formamide?
The canonical SMILES for N-methyl-N-(6-methylhept-5-en-2-yl)formamide is CC(C)=CCCC(C)N(C)C=O.
What is the InChIKey of N-methyl-N-(6-methylhept-5-en-2-yl)formamide?
The InChIKey is OFWRLZFOVBVFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)6-5-7-10(3)11(4)8-12/h6,8,10H,5,7H2,1-4H3.
What are the key properties of N-methyl-N-(6-methylhept-5-en-2-yl)formamide?
N-methyl-N-(6-methylhept-5-en-2-yl)formamide has a molecular weight of 169.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(6-methylhept-5-en-2-yl)formamide is sourced from PubChem (CID 165348661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).