N-(3-propylhexan-2-yl)formamide

C10H21NO — CID 24838200

IUPACN-(3-propylhexan-2-yl)formamide
SMILESCCCC(CCC)C(C)NC=O
InChIInChI=1S/C10H21NO/c1-4-6-10(7-5-2)9(3)11-8-12/h8-10H,4-7H2,1-3H3,(H,11,12)
InChIKeyCXQADDFIPGYSMQ-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.34
Rot. Bonds7

About N-(3-propylhexan-2-yl)formamide

N-(3-propylhexan-2-yl)formamide (PubChem CID 24838200) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(3-propylhexan-2-yl)formamide.

Molecular Properties

Compound NameN-(3-propylhexan-2-yl)formamide
PubChem CID24838200
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(3-propylhexan-2-yl)formamide
SMILESCCCC(CCC)C(C)NC=O
InChIInChI=1S/C10H21NO/c1-4-6-10(7-5-2)9(3)11-8-12/h8-10H,4-7H2,1-3H3,(H,11,12)
InChIKeyCXQADDFIPGYSMQ-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Formamide, N-(1-methylheptyl)-
CID 11815987
N-Cyclohexylmethyl-formamide
CID 20333386
(R)-N-(1-Methyl-Hexyl)-Formamide
CID 5289037
Acetamide, N-(3-propyl-2-hexyl)-
CID 40203
Formamide, N-(2-propylpentyl)-
CID 218530
1-Methylheptylformamide
CID 5478865
N-[(1R)-1-cyclohexyl-ethyl]-formamide
CID 59836339
Propionamide, N-(1-methyl-2-propylpentyl)-
CID 3040306
N-[(1R)-1-methylhexyl]formamide
CID 5496795
N-1-methylheptylformamide
CID 5288319
N-formylisoamylnonylamine
CID 21057306
N-[1-(3,3-difluorocyclobutyl)propan-2-yl]formamide;ethane
CID 177964331

Frequently Asked Questions

What is the IUPAC name of N-(3-propylhexan-2-yl)formamide?
The IUPAC name of N-(3-propylhexan-2-yl)formamide (CID 24838200) is N-(3-propylhexan-2-yl)formamide.
What is the SMILES notation for N-(3-propylhexan-2-yl)formamide?
The canonical SMILES for N-(3-propylhexan-2-yl)formamide is CCCC(CCC)C(C)NC=O.
What is the InChIKey of N-(3-propylhexan-2-yl)formamide?
The InChIKey is CXQADDFIPGYSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-10(7-5-2)9(3)11-8-12/h8-10H,4-7H2,1-3H3,(H,11,12).
What are the key properties of N-(3-propylhexan-2-yl)formamide?
N-(3-propylhexan-2-yl)formamide has a molecular weight of 171.28 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propylhexan-2-yl)formamide is sourced from PubChem (CID 24838200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).