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

C13H24N2O — CID 87594168

IUPACN-[[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]formamide
SMILESO=CNC[C@@H]1CNC[C@H]1CC1CCCCC1
InChIInChI=1S/C13H24N2O/c16-10-15-9-13-8-14-7-12(13)6-11-4-2-1-3-5-11/h10-14H,1-9H2,(H,15,16)/t12-,13+/m1/s1
InChIKeyAKTVOQBLFAOZAT-OLZOCXBDSA-N
MW224.35 g/mol
LogP1.54
Rot. Bonds5

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

N-[[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]formamide (PubChem CID 87594168) 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]methyl]formamide.

Molecular Properties

Compound NameN-[[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]formamide
PubChem CID87594168
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]formamide
SMILESO=CNC[C@@H]1CNC[C@H]1CC1CCCCC1
InChIInChI=1S/C13H24N2O/c16-10-15-9-13-8-14-7-12(13)6-11-4-2-1-3-5-11/h10-14H,1-9H2,(H,15,16)/t12-,13+/m1/s1
InChIKeyAKTVOQBLFAOZAT-OLZOCXBDSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
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]methyl]formamide?
The IUPAC name of N-[[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]formamide (CID 87594168) is N-[[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]formamide.
What is the SMILES notation for N-[[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]formamide?
The canonical SMILES for N-[[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]formamide is O=CNC[C@@H]1CNC[C@H]1CC1CCCCC1.
What is the InChIKey of N-[[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]formamide?
The InChIKey is AKTVOQBLFAOZAT-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H24N2O/c16-10-15-9-13-8-14-7-12(13)6-11-4-2-1-3-5-11/h10-14H,1-9H2,(H,15,16)/t12-,13+/m1/s1.
What are the key properties of N-[[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]formamide?
N-[[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]formamide has a molecular weight of 224.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 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]methyl]formamide is sourced from PubChem (CID 87594168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).