2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide

C12H25N3O — CID 62838070

IUPAC2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide
SMILESCCN(C(=O)CN1CCCNCC1)C(C)C
InChIInChI=1S/C12H25N3O/c1-4-15(11(2)3)12(16)10-14-8-5-6-13-7-9-14/h11,13H,4-10H2,1-3H3
InChIKeyKNSATCYPELQILN-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.54
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide

2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide (PubChem CID 62838070) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide
PubChem CID62838070
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide
SMILESCCN(C(=O)CN1CCCNCC1)C(C)C
InChIInChI=1S/C12H25N3O/c1-4-15(11(2)3)12(16)10-14-8-5-6-13-7-9-14/h11,13H,4-10H2,1-3H3
InChIKeyKNSATCYPELQILN-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 62839218
2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119906169
2-piperazin-1-yl-N-propan-2-yl-N-propylacetamide
CID 43269882
N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylacetamide
CID 60851591
2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylbutan-2-yl)acetamide
CID 62839862
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide
CID 43348717
2-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62832566
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide
CID 62837792
N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride
CID 119906882
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide
CID 62837604
2-[[2-(1,4-diazepan-1-yl)acetyl]-methylamino]acetic acid
CID 62838348
2-(4-aminopiperidin-1-yl)-N-ethyl-N-propan-2-ylacetamide
CID 79333087

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide (CID 62838070) is 2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide is CCN(C(=O)CN1CCCNCC1)C(C)C.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide?
The InChIKey is KNSATCYPELQILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-15(11(2)3)12(16)10-14-8-5-6-13-7-9-14/h11,13H,4-10H2,1-3H3.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide?
2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide has a molecular weight of 227.35 g/mol, XLogP of 0.54, 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-ethyl-N-propan-2-ylacetamide is sourced from PubChem (CID 62838070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).