N-[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]-N-methylformamide

C13H24N2O — CID 87627932

IUPACN-[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]-N-methylformamide
SMILESCN(C=O)[C@@H]1CNC[C@@H]1CC1CCCCC1
InChIInChI=1S/C13H24N2O/c1-15(10-16)13-9-14-8-12(13)7-11-5-3-2-4-6-11/h10-14H,2-9H2,1H3/t12-,13+/m0/s1
InChIKeyOZBWOAIVYIHSQW-QWHCGFSZSA-N
MW224.35 g/mol
LogP1.63
Rot. Bonds4

About N-[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]-N-methylformamide

N-[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]-N-methylformamide (PubChem CID 87627932) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]-N-methylformamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]-N-methylformamide
PubChem CID87627932
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]-N-methylformamide
SMILESCN(C=O)[C@@H]1CNC[C@@H]1CC1CCCCC1
InChIInChI=1S/C13H24N2O/c1-15(10-16)13-9-14-8-12(13)7-11-5-3-2-4-6-11/h10-14H,2-9H2,1H3/t12-,13+/m0/s1
InChIKeyOZBWOAIVYIHSQW-QWHCGFSZSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]-N-methylformamide?
The IUPAC name of N-[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]-N-methylformamide (CID 87627932) is N-[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]-N-methylformamide.
What is the SMILES notation for N-[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]-N-methylformamide?
The canonical SMILES for N-[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]-N-methylformamide is CN(C=O)[C@@H]1CNC[C@@H]1CC1CCCCC1.
What is the InChIKey of N-[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]-N-methylformamide?
The InChIKey is OZBWOAIVYIHSQW-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H24N2O/c1-15(10-16)13-9-14-8-12(13)7-11-5-3-2-4-6-11/h10-14H,2-9H2,1H3/t12-,13+/m0/s1.
What are the key properties of N-[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]-N-methylformamide?
N-[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]-N-methylformamide has a molecular weight of 224.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]-N-methylformamide is sourced from PubChem (CID 87627932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).