1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone

C15H28N2O — CID 55241586

IUPAC1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone
SMILESNCCCC1CCCN1C(=O)CC1CCCCC1
InChIInChI=1S/C15H28N2O/c16-10-4-8-14-9-5-11-17(14)15(18)12-13-6-2-1-3-7-13/h13-14H,1-12,16H2
InChIKeyGVRMZJBABPBXDL-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.69
Rot. Bonds5

About 1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone

1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone (PubChem CID 55241586) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone.

Molecular Properties

Compound Name1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone
PubChem CID55241586
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone
SMILESNCCCC1CCCN1C(=O)CC1CCCCC1
InChIInChI=1S/C15H28N2O/c16-10-4-8-14-9-5-11-17(14)15(18)12-13-6-2-1-3-7-13/h13-14H,1-12,16H2
InChIKeyGVRMZJBABPBXDL-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone
CID 113265851
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid
CID 61370257
2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81425480
1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one
CID 63767295
[2-(3-aminopropyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79155943
1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one
CID 114457934
1-[1-(2-cyclohexylacetyl)azepan-2-yl]propan-2-one
CID 79552906
1-[2-(3-aminopropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 63767297
2-(azetidin-3-yl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 64609791
1-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-cyclohexylpropan-1-one
CID 80675414
2-(3-aminopropyl)-N-cyclopropylpyrrolidine-1-carboxamide
CID 63767696
2-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 82506005

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone?
The IUPAC name of 1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone (CID 55241586) is 1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone.
What is the SMILES notation for 1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone?
The canonical SMILES for 1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone is NCCCC1CCCN1C(=O)CC1CCCCC1.
What is the InChIKey of 1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone?
The InChIKey is GVRMZJBABPBXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c16-10-4-8-14-9-5-11-17(14)15(18)12-13-6-2-1-3-7-13/h13-14H,1-12,16H2.
What are the key properties of 1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone?
1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone has a molecular weight of 252.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone is sourced from PubChem (CID 55241586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).