N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide

C15H29N3O — CID 115596093

IUPACN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide
SMILESCC(C)N1CCC(CNC(=O)N2CCCCCC2)C1
InChIInChI=1S/C15H29N3O/c1-13(2)18-10-7-14(12-18)11-16-15(19)17-8-5-3-4-6-9-17/h13-14H,3-12H2,1-2H3,(H,16,19)
InChIKeyWFKCKNUIYZYHGT-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.30
Rot. Bonds3

About N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide (PubChem CID 115596093) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide
PubChem CID115596093
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide
SMILESCC(C)N1CCC(CNC(=O)N2CCCCCC2)C1
InChIInChI=1S/C15H29N3O/c1-13(2)18-10-7-14(12-18)11-16-15(19)17-8-5-3-4-6-9-17/h13-14H,3-12H2,1-2H3,(H,16,19)
InChIKeyWFKCKNUIYZYHGT-UHFFFAOYSA-N
XLogP2.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81118903
4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 95589080
(3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide
CID 99970481
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide
CID 107027490
2-(cyclopentylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 61209304
4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 62806250
1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 60855267
1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80588258
3-oxo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide
CID 127287267
3-(1-methylindol-3-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 167748791
N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide
CID 115590481
(2R)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 103814104

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide?
The IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide (CID 115596093) is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide.
What is the SMILES notation for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide?
The canonical SMILES for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide is CC(C)N1CCC(CNC(=O)N2CCCCCC2)C1.
What is the InChIKey of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide?
The InChIKey is WFKCKNUIYZYHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(2)18-10-7-14(12-18)11-16-15(19)17-8-5-3-4-6-9-17/h13-14H,3-12H2,1-2H3,(H,16,19).
What are the key properties of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide?
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide is sourced from PubChem (CID 115596093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).