2-(2-aminopropyl)-N-propan-2-ylazepane-1-carboxamide

C13H27N3O — CID 112747922

IUPAC2-(2-aminopropyl)-N-propan-2-ylazepane-1-carboxamide
SMILESCC(N)CC1CCCCCN1C(=O)NC(C)C
InChIInChI=1S/C13H27N3O/c1-10(2)15-13(17)16-8-6-4-5-7-12(16)9-11(3)14/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyJKTIUQYOOCHWFN-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.09
Rot. Bonds3

About 2-(2-aminopropyl)-N-propan-2-ylazepane-1-carboxamide

2-(2-aminopropyl)-N-propan-2-ylazepane-1-carboxamide (PubChem CID 112747922) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(2-aminopropyl)-N-propan-2-ylazepane-1-carboxamide.

Molecular Properties

Compound Name2-(2-aminopropyl)-N-propan-2-ylazepane-1-carboxamide
PubChem CID112747922
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-(2-aminopropyl)-N-propan-2-ylazepane-1-carboxamide
SMILESCC(N)CC1CCCCCN1C(=O)NC(C)C
InChIInChI=1S/C13H27N3O/c1-10(2)15-13(17)16-8-6-4-5-7-12(16)9-11(3)14/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyJKTIUQYOOCHWFN-UHFFFAOYSA-N
XLogP2.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]propanoic acid
CID 104690934
N-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide
CID 79560608
tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
CID 79549369
3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119802212
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]-3-methylbutanoic acid
CID 104690867
2-ethylazepane-1-carbohydrazide
CID 104691127
methyl 2-[(2-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoate
CID 3987418
2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid
CID 106346761
2-[1-(pent-4-en-2-ylcarbamoyl)piperidin-2-yl]acetic acid
CID 113466834
(2S)-5-amino-2-[(2-ethylazepane-1-carbonyl)amino]-5-oxopentanoic acid
CID 104690935
2-(2-hydroxypropyl)-N-methylpyrrolidine-1-carboxamide
CID 115481757

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-N-propan-2-ylazepane-1-carboxamide?
The IUPAC name of 2-(2-aminopropyl)-N-propan-2-ylazepane-1-carboxamide (CID 112747922) is 2-(2-aminopropyl)-N-propan-2-ylazepane-1-carboxamide.
What is the SMILES notation for 2-(2-aminopropyl)-N-propan-2-ylazepane-1-carboxamide?
The canonical SMILES for 2-(2-aminopropyl)-N-propan-2-ylazepane-1-carboxamide is CC(N)CC1CCCCCN1C(=O)NC(C)C.
What is the InChIKey of 2-(2-aminopropyl)-N-propan-2-ylazepane-1-carboxamide?
The InChIKey is JKTIUQYOOCHWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)15-13(17)16-8-6-4-5-7-12(16)9-11(3)14/h10-12H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 2-(2-aminopropyl)-N-propan-2-ylazepane-1-carboxamide?
2-(2-aminopropyl)-N-propan-2-ylazepane-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-N-propan-2-ylazepane-1-carboxamide is sourced from PubChem (CID 112747922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).