[1-(aminomethyl)cycloheptyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone

C16H30N2O2 — CID 62480619

IUPAC[1-(aminomethyl)cycloheptyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESNCC1(C(=O)N2CCCC2CCCO)CCCCCC1
InChIInChI=1S/C16H30N2O2/c17-13-16(9-3-1-2-4-10-16)15(20)18-11-5-7-14(18)8-6-12-19/h14,19H,1-13,17H2
InChIKeyFWHMZALXJDZHPS-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.05
Rot. Bonds5

About [1-(aminomethyl)cycloheptyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone

[1-(aminomethyl)cycloheptyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (PubChem CID 62480619) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is [1-(aminomethyl)cycloheptyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cycloheptyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
PubChem CID62480619
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name[1-(aminomethyl)cycloheptyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESNCC1(C(=O)N2CCCC2CCCO)CCCCCC1
InChIInChI=1S/C16H30N2O2/c17-13-16(9-3-1-2-4-10-16)15(20)18-11-5-7-14(18)8-6-12-19/h14,19H,1-13,17H2
InChIKeyFWHMZALXJDZHPS-UHFFFAOYSA-N
XLogP2.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 63141995
N'-hydroxy-1-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboximidamide
CID 80596897
[1-(aminomethyl)cyclopentyl]-(2-benzylpyrrolidin-1-yl)methanone
CID 115434974
[4-(aminomethyl)cyclohexyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62806429
[2-(aminomethyl)azepan-1-yl]-(1-ethylcyclopentyl)methanone
CID 116639879
methyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate
CID 115437510
5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 104684988
1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone
CID 55241586
[1-(aminomethyl)cyclobutyl]-(2-methylazepan-1-yl)methanone
CID 80599736
1-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 167912648
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[1-(aminomethyl)cycloheptyl]methanone
CID 82747221
1-[1-(aminomethyl)cycloheptanecarbonyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103195078

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cycloheptyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(aminomethyl)cycloheptyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (CID 62480619) is [1-(aminomethyl)cycloheptyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)cycloheptyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(aminomethyl)cycloheptyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is NCC1(C(=O)N2CCCC2CCCO)CCCCCC1.
What is the InChIKey of [1-(aminomethyl)cycloheptyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The InChIKey is FWHMZALXJDZHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c17-13-16(9-3-1-2-4-10-16)15(20)18-11-5-7-14(18)8-6-12-19/h14,19H,1-13,17H2.
What are the key properties of [1-(aminomethyl)cycloheptyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
[1-(aminomethyl)cycloheptyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone has a molecular weight of 282.43 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cycloheptyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 62480619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).