2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone

C14H27N3O2 — CID 54874370

IUPAC2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone
SMILESCOCCN1CCCN(C(=O)CNCC2CC2)CC1
InChIInChI=1S/C14H27N3O2/c1-19-10-9-16-5-2-6-17(8-7-16)14(18)12-15-11-13-3-4-13/h13,15H,2-12H2,1H3
InChIKeyQNABHWKWPOGYMC-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.17
Rot. Bonds7

About 2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone

2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone (PubChem CID 54874370) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone
PubChem CID54874370
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone
SMILESCOCCN1CCCN(C(=O)CNCC2CC2)CC1
InChIInChI=1S/C14H27N3O2/c1-19-10-9-16-5-2-6-17(8-7-16)14(18)12-15-11-13-3-4-13/h13,15H,2-12H2,1H3
InChIKeyQNABHWKWPOGYMC-UHFFFAOYSA-N
XLogP0.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119838548
2-(cyclopropylmethylamino)-1-[4-(2-ethoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119843330
3-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-3-oxopropanoic acid
CID 62229918
1-(4-acetyl-1,4-diazepan-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119399355
2-(cyclopropylmethylamino)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 119833979
3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid
CID 61161794
2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethoxy]acetic acid
CID 61327126
2-(cyclopropylmethylamino)-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 60963080
2,2-difluoro-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone
CID 103515228
2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 79281462
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride
CID 119833895
4-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 65302083

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone (CID 54874370) is 2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone is COCCN1CCCN(C(=O)CNCC2CC2)CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone?
The InChIKey is QNABHWKWPOGYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-19-10-9-16-5-2-6-17(8-7-16)14(18)12-15-11-13-3-4-13/h13,15H,2-12H2,1H3.
What are the key properties of 2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone?
2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone has a molecular weight of 269.39 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 54874370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).