N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide

C10H21N3O — CID 96683108

IUPACN-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide
SMILESC[C@H](CN)NC(=O)N1CCCCCC1
InChIInChI=1S/C10H21N3O/c1-9(8-11)12-10(14)13-6-4-2-3-5-7-13/h9H,2-8,11H2,1H3,(H,12,14)/t9-/m1/s1
InChIKeyLXWRYEACKRXEPM-SECBINFHSA-N
MW199.30 g/mol
LogP0.92
Rot. Bonds2

About N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide

N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide (PubChem CID 96683108) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide
PubChem CID96683108
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide
SMILESC[C@H](CN)NC(=O)N1CCCCCC1
InChIInChI=1S/C10H21N3O/c1-9(8-11)12-10(14)13-6-4-2-3-5-7-13/h9H,2-8,11H2,1H3,(H,12,14)/t9-/m1/s1
InChIKeyLXWRYEACKRXEPM-SECBINFHSA-N
XLogP0.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxypropan-2-yl)azepane-1-carboxamide
CID 112729482
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
N-pentan-2-ylazepane-1-carboxamide
CID 115583076
N-[(2R)-1-aminopropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 96683106
N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
CID 115583840
N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115579823
N-[1-(dimethylamino)propan-2-yl]piperidine-1-carboxamide
CID 116657221
N-pent-4-yn-2-ylazepane-1-carboxamide
CID 115667497
N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115590525
N-(1-methylsulfonylpropan-2-yl)piperidine-1-carboxamide
CID 115626185
N-heptan-2-ylpiperidine-1-carboxamide
CID 115578841
5-(piperidine-1-carbonylamino)hexanoic acid
CID 82854268

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide (CID 96683108) is N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide is C[C@H](CN)NC(=O)N1CCCCCC1.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide?
The InChIKey is LXWRYEACKRXEPM-SECBINFHSA-N. The full InChI is InChI=1S/C10H21N3O/c1-9(8-11)12-10(14)13-6-4-2-3-5-7-13/h9H,2-8,11H2,1H3,(H,12,14)/t9-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide?
N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide has a molecular weight of 199.30 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide is sourced from PubChem (CID 96683108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).