N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride

C15H30ClN3O — CID 119906882

IUPACN-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride
SMILESCCN(C(=O)CN1CCCNCC1)C1CCCCC1.Cl
InChIInChI=1S/C15H29N3O.ClH/c1-2-18(14-7-4-3-5-8-14)15(19)13-17-11-6-9-16-10-12-17;/h14,16H,2-13H2,1H3;1H
InChIKeyVMSZPKLHDXNLGY-UHFFFAOYSA-N
MW303.88 g/mol
LogP1.88
Rot. Bonds4

About N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride

N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride (PubChem CID 119906882) has the molecular formula C15H30ClN3O and a molecular weight of 303.88 g/mol. Its IUPAC name is N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride
PubChem CID119906882
Molecular FormulaC15H30ClN3O
Molecular Weight303.88 g/mol
Exact Mass303.21
IUPAC NameN-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride
SMILESCCN(C(=O)CN1CCCNCC1)C1CCCCC1.Cl
InChIInChI=1S/C15H29N3O.ClH/c1-2-18(14-7-4-3-5-8-14)15(19)13-17-11-6-9-16-10-12-17;/h14,16H,2-13H2,1H3;1H
InChIKeyVMSZPKLHDXNLGY-UHFFFAOYSA-N
XLogP1.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.88
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide
CID 43348717
N-cyclopentyl-N-ethyl-2-piperazin-1-ylacetamide
CID 43541539
N-(cyclobutylmethyl)-2-(1,4-diazepan-1-yl)-N-ethylacetamide
CID 107398558
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide
CID 62837604
N-cyclopentyl-N-methyl-2-piperazin-1-ylacetamide
CID 43267406
N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60689929
2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119906169
2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride
CID 119917689
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119906026
2-(1,4-diazepan-1-yl)-N-methyl-N-(1-propylpiperidin-4-yl)acetamide
CID 62837819
2-(1,4-diazepan-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 63166632
2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide
CID 62838070

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride?
The IUPAC name of N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride (CID 119906882) is N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride.
What is the SMILES notation for N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride?
The canonical SMILES for N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride is CCN(C(=O)CN1CCCNCC1)C1CCCCC1.Cl.
What is the InChIKey of N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride?
The InChIKey is VMSZPKLHDXNLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.ClH/c1-2-18(14-7-4-3-5-8-14)15(19)13-17-11-6-9-16-10-12-17;/h14,16H,2-13H2,1H3;1H.
What are the key properties of N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride?
N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride has a molecular weight of 303.88 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride is sourced from PubChem (CID 119906882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).