[1-(aminomethyl)cyclohexyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

C15H29N3O — CID 81463790

IUPAC[1-(aminomethyl)cyclohexyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCC1CN(C(=O)C2(CN)CCCCC2)CC1N(C)C
InChIInChI=1S/C15H29N3O/c1-12-9-18(10-13(12)17(2)3)14(19)15(11-16)7-5-4-6-8-15/h12-13H,4-11,16H2,1-3H3
InChIKeyVWZGDQDIIGJHLH-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.30
Rot. Bonds3

About [1-(aminomethyl)cyclohexyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

[1-(aminomethyl)cyclohexyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (PubChem CID 81463790) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
PubChem CID81463790
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name[1-(aminomethyl)cyclohexyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCC1CN(C(=O)C2(CN)CCCCC2)CC1N(C)C
InChIInChI=1S/C15H29N3O/c1-12-9-18(10-13(12)17(2)3)14(19)15(11-16)7-5-4-6-8-15/h12-13H,4-11,16H2,1-3H3
InChIKeyVWZGDQDIIGJHLH-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81465283
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone
CID 81463819
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-propylpiperidin-4-yl)methanone
CID 81465453
[1-(aminomethyl)cyclopentyl]-[3-(dimethylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119874483
[1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone
CID 63609214
(1-amino-3-methylcyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81465581
1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 81464602
3-[2-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 96512972
1-[1-(aminomethyl)cycloheptyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464681
[1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride
CID 119669538
[1-(aminomethyl)cyclopropyl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220721
[1-(aminomethyl)cyclohexyl]-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone
CID 107218784

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (CID 81463790) is [1-(aminomethyl)cyclohexyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is CC1CN(C(=O)C2(CN)CCCCC2)CC1N(C)C.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The InChIKey is VWZGDQDIIGJHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12-9-18(10-13(12)17(2)3)14(19)15(11-16)7-5-4-6-8-15/h12-13H,4-11,16H2,1-3H3.
What are the key properties of [1-(aminomethyl)cyclohexyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
[1-(aminomethyl)cyclohexyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone has a molecular weight of 267.42 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 81463790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).