N-(4-methylheptan-4-yl)formamide

C9H19NO — CID 54483706

IUPACN-(4-methylheptan-4-yl)formamide
SMILESCCCC(C)(CCC)NC=O
InChIInChI=1S/C9H19NO/c1-4-6-9(3,7-5-2)10-8-11/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyUPOGUFCLRDQUFC-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.09
Rot. Bonds6

About N-(4-methylheptan-4-yl)formamide

N-(4-methylheptan-4-yl)formamide (PubChem CID 54483706) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-(4-methylheptan-4-yl)formamide.

Molecular Properties

Compound NameN-(4-methylheptan-4-yl)formamide
PubChem CID54483706
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-(4-methylheptan-4-yl)formamide
SMILESCCCC(C)(CCC)NC=O
InChIInChI=1S/C9H19NO/c1-4-6-9(3,7-5-2)10-8-11/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyUPOGUFCLRDQUFC-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.09
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-(1,1,3,3-tetramethylbutyl)-
CID 82410
Formamide, N-(2-propylpentyl)-
CID 218530
N-(2-methylpentan-2-yl)formamide
CID 19354357
1,1-Diethylpropylformamide
CID 55284160
N-(2-methyldodecan-2-yl)formamide
CID 71736565
N-(3-Propyl-2-hexyl)formamide
CID 24838200
N-(6,6,6-trifluoro-3-methylhexan-3-yl)formamide
CID 144953593
N-(2-methylheptan-2-yl)formamide
CID 13725020
N-(2-ethylhexyl)formamide
CID 18451672
N-(6-formamido-2,6-dimethylheptan-2-yl)formamide
CID 19049739
N-(4-formamido-2,4-dimethylpentan-2-yl)formamide
CID 19049742
N-(1-methylcyclohexyl)formamide
CID 20492424

Frequently Asked Questions

What is the IUPAC name of N-(4-methylheptan-4-yl)formamide?
The IUPAC name of N-(4-methylheptan-4-yl)formamide (CID 54483706) is N-(4-methylheptan-4-yl)formamide.
What is the SMILES notation for N-(4-methylheptan-4-yl)formamide?
The canonical SMILES for N-(4-methylheptan-4-yl)formamide is CCCC(C)(CCC)NC=O.
What is the InChIKey of N-(4-methylheptan-4-yl)formamide?
The InChIKey is UPOGUFCLRDQUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-6-9(3,7-5-2)10-8-11/h8H,4-7H2,1-3H3,(H,10,11).
What are the key properties of N-(4-methylheptan-4-yl)formamide?
N-(4-methylheptan-4-yl)formamide has a molecular weight of 157.26 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylheptan-4-yl)formamide is sourced from PubChem (CID 54483706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).