N-(cyclopropylmethyl)-N-propylazepane-2-carboxamide

C14H26N2O — CID 64564571

IUPACN-(cyclopropylmethyl)-N-propylazepane-2-carboxamide
SMILESCCCN(CC1CC1)C(=O)C1CCCCCN1
InChIInChI=1S/C14H26N2O/c1-2-10-16(11-12-7-8-12)14(17)13-6-4-3-5-9-15-13/h12-13,15H,2-11H2,1H3
InChIKeyBGOBLTDZKSWIHF-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds5

About N-(cyclopropylmethyl)-N-propylazepane-2-carboxamide

N-(cyclopropylmethyl)-N-propylazepane-2-carboxamide (PubChem CID 64564571) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-propylazepane-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-propylazepane-2-carboxamide
PubChem CID64564571
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(cyclopropylmethyl)-N-propylazepane-2-carboxamide
SMILESCCCN(CC1CC1)C(=O)C1CCCCCN1
InChIInChI=1S/C14H26N2O/c1-2-10-16(11-12-7-8-12)14(17)13-6-4-3-5-9-15-13/h12-13,15H,2-11H2,1H3
InChIKeyBGOBLTDZKSWIHF-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-N-ethylazepane-2-carboxamide
CID 64570352
(2S)-N,N-bis(cyclopropylmethyl)piperidine-2-carboxamide
CID 103811837
(2R)-N-ethyl-N-propylpiperidine-2-carboxamide
CID 93272549
N-[2-(dimethylamino)-2-oxoethyl]-N-propylazepane-2-carboxamide
CID 64563638
N-(cyclopropylmethyl)-N-methylazepane-2-carboxamide
CID 64563812
2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869567
(2R)-N,N-dipentylpiperidine-2-carboxamide
CID 93372342
(2R)-N-methyl-N-propylpiperidine-2-carboxamide
CID 93272806
N-benzyl-N-propylazepane-2-carboxamide
CID 64564177
methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
CID 61165277
N-(cyclopropylmethyl)-3-methyl-N-propylpiperidine-2-carboxamide
CID 107067242
N-(piperidin-4-ylmethyl)-N-propylcyclooctanecarboxamide
CID 79702518

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-propylazepane-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-propylazepane-2-carboxamide (CID 64564571) is N-(cyclopropylmethyl)-N-propylazepane-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-propylazepane-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-propylazepane-2-carboxamide is CCCN(CC1CC1)C(=O)C1CCCCCN1.
What is the InChIKey of N-(cyclopropylmethyl)-N-propylazepane-2-carboxamide?
The InChIKey is BGOBLTDZKSWIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-10-16(11-12-7-8-12)14(17)13-6-4-3-5-9-15-13/h12-13,15H,2-11H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-propylazepane-2-carboxamide?
N-(cyclopropylmethyl)-N-propylazepane-2-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-propylazepane-2-carboxamide is sourced from PubChem (CID 64564571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).