2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-2-ylpropanamide

C16H31N3O — CID 60975768

IUPAC2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NCC1CCN(C2CC2)C1
InChIInChI=1S/C16H31N3O/c1-4-5-12(2)18-16(20)13(3)17-10-14-8-9-19(11-14)15-6-7-15/h12-15,17H,4-11H2,1-3H3,(H,18,20)
InChIKeyNERWGUNPWZQHRN-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.75
Rot. Bonds8

About 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-2-ylpropanamide

2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-2-ylpropanamide (PubChem CID 60975768) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-2-ylpropanamide
PubChem CID60975768
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NCC1CCN(C2CC2)C1
InChIInChI=1S/C16H31N3O/c1-4-5-12(2)18-16(20)13(3)17-10-14-8-9-19(11-14)15-6-7-15/h12-15,17H,4-11H2,1-3H3,(H,18,20)
InChIKeyNERWGUNPWZQHRN-UHFFFAOYSA-N
XLogP1.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60855645
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 60975769
2-[(4-hydroxycyclohexyl)methylamino]-N-pentan-2-ylpropanamide
CID 106132906
2-[(1,1-dioxothiolan-3-yl)methylamino]-N-pentan-2-ylpropanamide
CID 54914910
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine
CID 60855640
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxypropanimidamide
CID 77027010
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methylhexan-2-amine
CID 54927106
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentanamide;dihydrochloride
CID 119854796
2-(1-cyclopropylethylamino)-N-pentan-2-ylpropanamide
CID 43420322
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-3-ylacetamide
CID 61487173
(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide
CID 79013040
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-propan-2-yloxyacetamide
CID 112686924

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-2-ylpropanamide (CID 60975768) is 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)NCC1CCN(C2CC2)C1.
What is the InChIKey of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-2-ylpropanamide?
The InChIKey is NERWGUNPWZQHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-5-12(2)18-16(20)13(3)17-10-14-8-9-19(11-14)15-6-7-15/h12-15,17H,4-11H2,1-3H3,(H,18,20).
What are the key properties of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-2-ylpropanamide?
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-2-ylpropanamide has a molecular weight of 281.44 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 60975768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).