3-(aminomethyl)-N-propan-2-ylpyrrolidine-1-carboxamide

C9H19N3O — CID 62062680

IUPAC3-(aminomethyl)-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(CN)C1
InChIInChI=1S/C9H19N3O/c1-7(2)11-9(13)12-4-3-8(5-10)6-12/h7-8H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyKCGPYEKWCMEBQU-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.38
Rot. Bonds2

About 3-(aminomethyl)-N-propan-2-ylpyrrolidine-1-carboxamide

3-(aminomethyl)-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 62062680) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(aminomethyl)-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID62062680
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-(aminomethyl)-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(CN)C1
InChIInChI=1S/C9H19N3O/c1-7(2)11-9(13)12-4-3-8(5-10)6-12/h7-8H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyKCGPYEKWCMEBQU-UHFFFAOYSA-N
XLogP0.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-propan-2-ylpyrrolidine-1-carboxamide (CID 62062680) is 3-(aminomethyl)-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-propan-2-ylpyrrolidine-1-carboxamide is CC(C)NC(=O)N1CCC(CN)C1.
What is the InChIKey of 3-(aminomethyl)-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is KCGPYEKWCMEBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(2)11-9(13)12-4-3-8(5-10)6-12/h7-8H,3-6,10H2,1-2H3,(H,11,13).
What are the key properties of 3-(aminomethyl)-N-propan-2-ylpyrrolidine-1-carboxamide?
3-(aminomethyl)-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 185.27 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 62062680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).