2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride

C14H28ClN3O2 — CID 119297853

IUPAC2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CCCN(C(=O)C(C)C)CC1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-4-6-12(15)14(19)17-8-5-7-16(9-10-17)13(18)11(2)3;/h11-12H,4-10,15H2,1-3H3;1H
InChIKeyILMQYCJWPNJNOM-UHFFFAOYSA-N
MW305.85 g/mol
LogP1.25
Rot. Bonds4

About 2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride

2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride (PubChem CID 119297853) has the molecular formula C14H28ClN3O2 and a molecular weight of 305.85 g/mol. Its IUPAC name is 2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
PubChem CID119297853
Molecular FormulaC14H28ClN3O2
Molecular Weight305.85 g/mol
Exact Mass305.19
IUPAC Name2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CCCN(C(=O)C(C)C)CC1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-4-6-12(15)14(19)17-8-5-7-16(9-10-17)13(18)11(2)3;/h11-12H,4-10,15H2,1-3H3;1H
InChIKeyILMQYCJWPNJNOM-UHFFFAOYSA-N
XLogP1.25
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride with MolForge

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Related Compounds

2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 93373838
4-(2-aminopentanoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 54872852
2-amino-3-methyl-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 119738906
2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride
CID 119307771
(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 93318647
(2R)-2-amino-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one
CID 93375585
methyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate
CID 93469912
(2S)-2-amino-1-(4-methyl-1,4-diazepan-1-yl)hexan-1-one
CID 93315574
(2R)-2-amino-1-(1,1-dioxo-1,4-thiazepan-4-yl)pentan-1-one
CID 103796728
(2S)-2-amino-1-piperazin-1-ylpentan-1-one
CID 93255588

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride (CID 119297853) is 2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride is CCCC(N)C(=O)N1CCCN(C(=O)C(C)C)CC1.Cl.
What is the InChIKey of 2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride?
The InChIKey is ILMQYCJWPNJNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.ClH/c1-4-6-12(15)14(19)17-8-5-7-16(9-10-17)13(18)11(2)3;/h11-12H,4-10,15H2,1-3H3;1H.
What are the key properties of 2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride?
2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 119297853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).