(2S)-1-(azepan-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]propan-2-amine

C14H26N4 — CID 125437759

IUPAC(2S)-1-(azepan-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]propan-2-amine
SMILESC[C@@H](CN1CCCCCC1)NCCc1ncc[nH]1
InChIInChI=1S/C14H26N4/c1-13(12-18-10-4-2-3-5-11-18)15-7-6-14-16-8-9-17-14/h8-9,13,15H,2-7,10-12H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeySFQOKZROCFMZAY-ZDUSSCGKSA-N
MW250.39 g/mol
LogP1.81
Rot. Bonds6

About (2S)-1-(azepan-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]propan-2-amine

(2S)-1-(azepan-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]propan-2-amine (PubChem CID 125437759) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is (2S)-1-(azepan-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(azepan-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]propan-2-amine
PubChem CID125437759
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name(2S)-1-(azepan-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]propan-2-amine
SMILESC[C@@H](CN1CCCCCC1)NCCc1ncc[nH]1
InChIInChI=1S/C14H26N4/c1-13(12-18-10-4-2-3-5-11-18)15-7-6-14-16-8-9-17-14/h8-9,13,15H,2-7,10-12H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeySFQOKZROCFMZAY-ZDUSSCGKSA-N
XLogP1.81
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-(1H-imidazol-2-ylmethyl)piperidine
CID 145119254
3-(1-pyrrolidin-1-ylpropan-2-ylamino)-1H-pyrazin-2-one
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N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
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N-[(2R)-2-[2-(1H-imidazol-2-yl)ethylamino]propyl]cyclopropanesulfonamide
CID 125441934
1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide
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3-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
CID 43434983
4-methyl-3-[2-(1-piperidin-1-ylpropan-2-ylamino)ethyl]-1H-1,2,4-triazol-5-one
CID 131947646
N-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 113408558
N-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine
CID 43434982
N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80693865
2-butyl-1H-imidazole;cyclohexane
CID 173413359
N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine
CID 114525110

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(azepan-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of (2S)-1-(azepan-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]propan-2-amine (CID 125437759) is (2S)-1-(azepan-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for (2S)-1-(azepan-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for (2S)-1-(azepan-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]propan-2-amine is C[C@@H](CN1CCCCCC1)NCCc1ncc[nH]1.
What is the InChIKey of (2S)-1-(azepan-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]propan-2-amine?
The InChIKey is SFQOKZROCFMZAY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N4/c1-13(12-18-10-4-2-3-5-11-18)15-7-6-14-16-8-9-17-14/h8-9,13,15H,2-7,10-12H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-1-(azepan-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]propan-2-amine?
(2S)-1-(azepan-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]propan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(azepan-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 125437759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).