2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide

C10H21N3O — CID 127011721

IUPAC2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCCC(N)CC1
InChIInChI=1S/C10H21N3O/c1-12(2)10(14)8-13-6-3-4-9(11)5-7-13/h9H,3-8,11H2,1-2H3
InChIKeyMXYMWEIGJGAWHH-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.11
Rot. Bonds2

About 2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide

2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide (PubChem CID 127011721) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide
PubChem CID127011721
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCCC(N)CC1
InChIInChI=1S/C10H21N3O/c1-12(2)10(14)8-13-6-3-4-9(11)5-7-13/h9H,3-8,11H2,1-2H3
InChIKeyMXYMWEIGJGAWHH-UHFFFAOYSA-N
XLogP-0.11
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-1-yl)-N,N-dimethylacetamide
CID 69256971
2-(4-aminopiperidin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 43556875
2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 107225809
2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43767045
2-[4-(cyclohexylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43755989
N,N-dimethyl-2-(4-methylpiperidin-1-yl)acetamide;ethane
CID 145317125
2-(4-aminopiperidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79328008
2-(4-aminopiperidin-1-yl)-N-methyl-N-(oxan-4-yl)acetamide
CID 79328227
2-(4-aminopiperidin-1-yl)-N-ethyl-N-propan-2-ylacetamide
CID 79333087
N,N-dimethyl-2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]acetamide;ethane
CID 142367549
2-(4-aminopiperidin-1-yl)-N-(1-methoxypropan-2-yl)-N-methylacetamide
CID 79327713
2-(4-aminopiperidin-1-yl)-N-methyl-N-(oxolan-3-yl)acetamide
CID 81489412

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide (CID 127011721) is 2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)CN1CCCC(N)CC1.
What is the InChIKey of 2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide?
The InChIKey is MXYMWEIGJGAWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-12(2)10(14)8-13-6-3-4-9(11)5-7-13/h9H,3-8,11H2,1-2H3.
What are the key properties of 2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide?
2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide has a molecular weight of 199.30 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 127011721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).