2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylbutan-2-yl)acetamide

C13H27N3O — CID 62839862

IUPAC2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)N(C)C(=O)CN1CCCNCC1
InChIInChI=1S/C13H27N3O/c1-11(2)12(3)15(4)13(17)10-16-8-5-6-14-7-9-16/h11-12,14H,5-10H2,1-4H3
InChIKeyQVPVNNFDSOSMKK-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.78
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylbutan-2-yl)acetamide

2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylbutan-2-yl)acetamide (PubChem CID 62839862) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylbutan-2-yl)acetamide
PubChem CID62839862
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)N(C)C(=O)CN1CCCNCC1
InChIInChI=1S/C13H27N3O/c1-11(2)12(3)15(4)13(17)10-16-8-5-6-14-7-9-16/h11-12,14H,5-10H2,1-4H3
InChIKeyQVPVNNFDSOSMKK-UHFFFAOYSA-N
XLogP0.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62832566
2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119906169
2-(1,4-diazepan-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 62839206
2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide
CID 62838070
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
1-(dimethylamino)propan-2-yl 2-(1,4-diazepan-1-yl)acetate
CID 112741380
N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide
CID 62839573
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-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 62837072
methyl 3-[[2-(1,4-diazepan-1-yl)acetyl]-(2-methylpropyl)amino]propanoate
CID 62837257
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide
CID 43348717

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylbutan-2-yl)acetamide (CID 62839862) is 2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)N(C)C(=O)CN1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is QVPVNNFDSOSMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(2)12(3)15(4)13(17)10-16-8-5-6-14-7-9-16/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylbutan-2-yl)acetamide?
2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.78, 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-methyl-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 62839862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).