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

C9H19N3O — CID 89043934

IUPACN-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCNC(=O)CN1CCCN(C)CC1
InChIInChI=1S/C9H19N3O/c1-10-9(13)8-12-5-3-4-11(2)6-7-12/h3-8H2,1-2H3,(H,10,13)
InChIKeyQYJOXDQPSMYZAW-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.63
Rot. Bonds2

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

N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide (PubChem CID 89043934) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
PubChem CID89043934
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCNC(=O)CN1CCCN(C)CC1
InChIInChI=1S/C9H19N3O/c1-10-9(13)8-12-5-3-4-11(2)6-7-12/h3-8H2,1-2H3,(H,10,13)
InChIKeyQYJOXDQPSMYZAW-UHFFFAOYSA-N
XLogP-0.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 63309954
N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 43509649
2-[4,7-bis(carboxymethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19838418
N-methyl-2-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]acetamide
CID 65070563
ethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
CID 142367954
methyl 2-[4,7-bis(2-methoxy-2-oxoethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 143494239
N-(2-tert-butylsulfanylethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 50956247
2-aminoacetic acid;2-[7-(carboxymethyl)-4-[2-(methylamino)-2-oxoethyl]-1,4,7-triazacyclododec-1-yl]acetic acid
CID 155726280
2-[4-[4-(methylamino)-4-oxobutyl]-1,4-diazepan-1-yl]acetic acid
CID 63892098
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
methyl 3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 25219281
2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]-1,4-diazepan-1-yl]-N-prop-2-ynylacetamide
CID 31313709

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide (CID 89043934) is N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide is CNC(=O)CN1CCCN(C)CC1.
What is the InChIKey of N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The InChIKey is QYJOXDQPSMYZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-10-9(13)8-12-5-3-4-11(2)6-7-12/h3-8H2,1-2H3,(H,10,13).
What are the key properties of N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide has a molecular weight of 185.27 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 89043934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).