(2,4-dimethyl-1,4-diazepan-1-yl)-(2-methylpyrrolidin-3-yl)methanone

C13H25N3O — CID 114085728

IUPAC(2,4-dimethyl-1,4-diazepan-1-yl)-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1NCCC1C(=O)N1CCCN(C)CC1C
InChIInChI=1S/C13H25N3O/c1-10-9-15(3)7-4-8-16(10)13(17)12-5-6-14-11(12)2/h10-12,14H,4-9H2,1-3H3
InChIKeyZVNLHVNMVKIWEA-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.54
Rot. Bonds1

About (2,4-dimethyl-1,4-diazepan-1-yl)-(2-methylpyrrolidin-3-yl)methanone

(2,4-dimethyl-1,4-diazepan-1-yl)-(2-methylpyrrolidin-3-yl)methanone (PubChem CID 114085728) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (2,4-dimethyl-1,4-diazepan-1-yl)-(2-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,4-diazepan-1-yl)-(2-methylpyrrolidin-3-yl)methanone
PubChem CID114085728
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(2,4-dimethyl-1,4-diazepan-1-yl)-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1NCCC1C(=O)N1CCCN(C)CC1C
InChIInChI=1S/C13H25N3O/c1-10-9-15(3)7-4-8-16(10)13(17)12-5-6-14-11(12)2/h10-12,14H,4-9H2,1-3H3
InChIKeyZVNLHVNMVKIWEA-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-(2,4-dimethyl-1,4-diazepane-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114093363
1-(2-methylpyrrolidine-3-carbonyl)azepane-2-carboxylic acid
CID 79385119
(2,4-dimethylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 103814614
2-methyl-N-(1-methylpiperidin-3-yl)pyrrolidine-3-carboxamide
CID 79389112
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpyrrolidin-3-yl)methanone
CID 82746210
(2-methylpyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 79388150
(3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 79383471
(2,4-dimethylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone
CID 114085731
2-methyl-N-(1-methylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
CID 79388554
N-[[1-(2-methylpyrrolidine-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 79388933
(2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 79388531
(2,4-dimethylpiperazin-1-yl)-piperidin-4-ylmethanone;dihydrochloride
CID 119885488

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,4-diazepan-1-yl)-(2-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (2,4-dimethyl-1,4-diazepan-1-yl)-(2-methylpyrrolidin-3-yl)methanone (CID 114085728) is (2,4-dimethyl-1,4-diazepan-1-yl)-(2-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (2,4-dimethyl-1,4-diazepan-1-yl)-(2-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (2,4-dimethyl-1,4-diazepan-1-yl)-(2-methylpyrrolidin-3-yl)methanone is CC1NCCC1C(=O)N1CCCN(C)CC1C.
What is the InChIKey of (2,4-dimethyl-1,4-diazepan-1-yl)-(2-methylpyrrolidin-3-yl)methanone?
The InChIKey is ZVNLHVNMVKIWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10-9-15(3)7-4-8-16(10)13(17)12-5-6-14-11(12)2/h10-12,14H,4-9H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,4-diazepan-1-yl)-(2-methylpyrrolidin-3-yl)methanone?
(2,4-dimethyl-1,4-diazepan-1-yl)-(2-methylpyrrolidin-3-yl)methanone has a molecular weight of 239.36 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,4-diazepan-1-yl)-(2-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 114085728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).