2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride

C13H28ClN3O — CID 119906169

IUPAC2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride
SMILESCC(C)N(C(=O)CN1CCCNCC1)C(C)C.Cl
InChIInChI=1S/C13H27N3O.ClH/c1-11(2)16(12(3)4)13(17)10-15-8-5-6-14-7-9-15;/h11-12,14H,5-10H2,1-4H3;1H
InChIKeyNACMTZVMDOEOJW-UHFFFAOYSA-N
MW277.84 g/mol
LogP1.35
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride

2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride (PubChem CID 119906169) has the molecular formula C13H28ClN3O and a molecular weight of 277.84 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride
PubChem CID119906169
Molecular FormulaC13H28ClN3O
Molecular Weight277.84 g/mol
Exact Mass277.19
IUPAC Name2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride
SMILESCC(C)N(C(=O)CN1CCCNCC1)C(C)C.Cl
InChIInChI=1S/C13H27N3O.ClH/c1-11(2)16(12(3)4)13(17)10-15-8-5-6-14-7-9-15;/h11-12,14H,5-10H2,1-4H3;1H
InChIKeyNACMTZVMDOEOJW-UHFFFAOYSA-N
XLogP1.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide
CID 62838070
2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylbutan-2-yl)acetamide
CID 62839862
2-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62832566
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide
CID 62837604
2-(1,4-diazepan-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 62839218
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide
CID 43348717
N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride
CID 119906882
2-[[2-(1,4-diazepan-1-yl)acetyl]-methylamino]acetic acid
CID 62838348
N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide
CID 62839573
2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 119906862
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
CID 143227014
N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylacetamide
CID 60851591

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride (CID 119906169) is 2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride is CC(C)N(C(=O)CN1CCCNCC1)C(C)C.Cl.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride?
The InChIKey is NACMTZVMDOEOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.ClH/c1-11(2)16(12(3)4)13(17)10-15-8-5-6-14-7-9-15;/h11-12,14H,5-10H2,1-4H3;1H.
What are the key properties of 2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride?
2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride has a molecular weight of 277.84 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119906169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).