(2-amino-6-methylcyclohexyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone

C15H28N2O2 — CID 62781550

IUPAC(2-amino-6-methylcyclohexyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESCC1CCCC(N)C1C(=O)N1CCCC1CCCO
InChIInChI=1S/C15H28N2O2/c1-11-5-2-8-13(16)14(11)15(19)17-9-3-6-12(17)7-4-10-18/h11-14,18H,2-10,16H2,1H3
InChIKeyYEWHIQLJDQKPEN-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.51
Rot. Bonds4

About (2-amino-6-methylcyclohexyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone

(2-amino-6-methylcyclohexyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (PubChem CID 62781550) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2-amino-6-methylcyclohexyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-6-methylcyclohexyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
PubChem CID62781550
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(2-amino-6-methylcyclohexyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESCC1CCCC(N)C1C(=O)N1CCCC1CCCO
InChIInChI=1S/C15H28N2O2/c1-11-5-2-8-13(16)14(11)15(19)17-9-3-6-12(17)7-4-10-18/h11-14,18H,2-10,16H2,1H3
InChIKeyYEWHIQLJDQKPEN-UHFFFAOYSA-N
XLogP1.51
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(3-methylpiperidin-2-yl)methanone
CID 62480452
[4-(aminomethyl)cyclohexyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62806429
cyclopropyl-[2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 62468618
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 62468441
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 62479213
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 62469314
2-amino-2-cyclopropyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62478863
(2-amino-6-methylcyclohexyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81213770
1-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 167912648
[2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 63396360
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 62589501
(5S)-5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 114039546

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylcyclohexyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-amino-6-methylcyclohexyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (CID 62781550) is (2-amino-6-methylcyclohexyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-amino-6-methylcyclohexyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-amino-6-methylcyclohexyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is CC1CCCC(N)C1C(=O)N1CCCC1CCCO.
What is the InChIKey of (2-amino-6-methylcyclohexyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The InChIKey is YEWHIQLJDQKPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11-5-2-8-13(16)14(11)15(19)17-9-3-6-12(17)7-4-10-18/h11-14,18H,2-10,16H2,1H3.
What are the key properties of (2-amino-6-methylcyclohexyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
(2-amino-6-methylcyclohexyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone has a molecular weight of 268.40 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methylcyclohexyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 62781550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).