(4-methyl-1,4-diazepan-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

C14H27N3O — CID 106979625

IUPAC(4-methyl-1,4-diazepan-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)N2CCCN(C)CC2)CCNC1
InChIInChI=1S/C14H27N3O/c1-12(2)14(5-6-15-11-14)13(18)17-8-4-7-16(3)9-10-17/h12,15H,4-11H2,1-3H3
InChIKeyKATAAONDITWYHG-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.79
Rot. Bonds2

About (4-methyl-1,4-diazepan-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

(4-methyl-1,4-diazepan-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 106979625) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (4-methyl-1,4-diazepan-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-methyl-1,4-diazepan-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID106979625
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(4-methyl-1,4-diazepan-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)N2CCCN(C)CC2)CCNC1
InChIInChI=1S/C14H27N3O/c1-12(2)14(5-6-15-11-14)13(18)17-8-4-7-16(3)9-10-17/h12,15H,4-11H2,1-3H3
InChIKeyKATAAONDITWYHG-UHFFFAOYSA-N
XLogP0.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-azaspiro[4.5]decan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980652
(4-butan-2-ylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980599
(4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone
CID 58584463
(4-ethyl-4-methylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980650
(4-methylsulfanylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 114237027
(3R)-1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 106981005
(3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980906
(3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980687
(3-hydroxypyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980620
(3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 106980335
2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
CID 106980595
(3,4-dimethoxypyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981410

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,4-diazepan-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-methyl-1,4-diazepan-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 106979625) is (4-methyl-1,4-diazepan-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-methyl-1,4-diazepan-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-methyl-1,4-diazepan-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is CC(C)C1(C(=O)N2CCCN(C)CC2)CCNC1.
What is the InChIKey of (4-methyl-1,4-diazepan-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is KATAAONDITWYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(2)14(5-6-15-11-14)13(18)17-8-4-7-16(3)9-10-17/h12,15H,4-11H2,1-3H3.
What are the key properties of (4-methyl-1,4-diazepan-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
(4-methyl-1,4-diazepan-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 253.39 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,4-diazepan-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106979625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).