N-[(2S)-heptan-2-yl]formamide

C8H17NO — CID 5289037

IUPACN-[(2S)-heptan-2-yl]formamide
SMILESCCCCC[C@H](C)NC=O
InChIInChI=1S/C8H17NO/c1-3-4-5-6-8(2)9-7-10/h7-8H,3-6H2,1-2H3,(H,9,10)/t8-/m0/s1
InChIKeyGFVRKPKAQHTAQK-QMMMGPOBSA-N
MW143.23 g/mol
LogP1.70
Rot. Bonds6

About N-[(2S)-heptan-2-yl]formamide

N-[(2S)-heptan-2-yl]formamide (PubChem CID 5289037) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-[(2S)-heptan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2S)-heptan-2-yl]formamide
PubChem CID5289037
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-[(2S)-heptan-2-yl]formamide
SMILESCCCCC[C@H](C)NC=O
InChIInChI=1S/C8H17NO/c1-3-4-5-6-8(2)9-7-10/h7-8H,3-6H2,1-2H3,(H,9,10)/t8-/m0/s1
InChIKeyGFVRKPKAQHTAQK-QMMMGPOBSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2S)-heptan-2-yl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-heptan-2-yl]formamide?
The IUPAC name of N-[(2S)-heptan-2-yl]formamide (CID 5289037) is N-[(2S)-heptan-2-yl]formamide.
What is the SMILES notation for N-[(2S)-heptan-2-yl]formamide?
The canonical SMILES for N-[(2S)-heptan-2-yl]formamide is CCCCC[C@H](C)NC=O.
What is the InChIKey of N-[(2S)-heptan-2-yl]formamide?
The InChIKey is GFVRKPKAQHTAQK-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-5-6-8(2)9-7-10/h7-8H,3-6H2,1-2H3,(H,9,10)/t8-/m0/s1.
What are the key properties of N-[(2S)-heptan-2-yl]formamide?
N-[(2S)-heptan-2-yl]formamide has a molecular weight of 143.23 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-heptan-2-yl]formamide is sourced from PubChem (CID 5289037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).