(4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone

C15H28N2O — CID 63626147

IUPAC(4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CCCC(C)CC2)CCNC1
InChIInChI=1S/C15H28N2O/c1-3-7-15(8-9-16-12-15)14(18)17-10-4-5-13(2)6-11-17/h13,16H,3-12H2,1-2H3
InChIKeySSQVYCYEUPKIPZ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.41
Rot. Bonds3

About (4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone

(4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone (PubChem CID 63626147) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone
PubChem CID63626147
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CCCC(C)CC2)CCNC1
InChIInChI=1S/C15H28N2O/c1-3-7-15(8-9-16-12-15)14(18)17-10-4-5-13(2)6-11-17/h13,16H,3-12H2,1-2H3
InChIKeySSQVYCYEUPKIPZ-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone (CID 63626147) is (4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone is CCCC1(C(=O)N2CCCC(C)CC2)CCNC1.
What is the InChIKey of (4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone?
The InChIKey is SSQVYCYEUPKIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-7-15(8-9-16-12-15)14(18)17-10-4-5-13(2)6-11-17/h13,16H,3-12H2,1-2H3.
What are the key properties of (4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone?
(4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone has a molecular weight of 252.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 63626147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).