1-(aminomethyl)-2-[2-(3-methylcyclohexyl)oxyethyl]cyclopentan-1-ol

C15H29NO2 — CID 79588135

IUPAC1-(aminomethyl)-2-[2-(3-methylcyclohexyl)oxyethyl]cyclopentan-1-ol
SMILESCC1CCCC(OCCC2CCCC2(O)CN)C1
InChIInChI=1S/C15H29NO2/c1-12-4-2-6-14(10-12)18-9-7-13-5-3-8-15(13,17)11-16/h12-14,17H,2-11,16H2,1H3
InChIKeyPQSUCKBNWRTCJP-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.46
Rot. Bonds5

About 1-(aminomethyl)-2-[2-(3-methylcyclohexyl)oxyethyl]cyclopentan-1-ol

1-(aminomethyl)-2-[2-(3-methylcyclohexyl)oxyethyl]cyclopentan-1-ol (PubChem CID 79588135) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-(3-methylcyclohexyl)oxyethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-(3-methylcyclohexyl)oxyethyl]cyclopentan-1-ol
PubChem CID79588135
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-(aminomethyl)-2-[2-(3-methylcyclohexyl)oxyethyl]cyclopentan-1-ol
SMILESCC1CCCC(OCCC2CCCC2(O)CN)C1
InChIInChI=1S/C15H29NO2/c1-12-4-2-6-14(10-12)18-9-7-13-5-3-8-15(13,17)11-16/h12-14,17H,2-11,16H2,1H3
InChIKeyPQSUCKBNWRTCJP-UHFFFAOYSA-N
XLogP2.46
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[2-(3-methylcyclohexyl)oxyethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-(3-methylcyclohexyl)oxyethyl]cyclopentan-1-ol (CID 79588135) is 1-(aminomethyl)-2-[2-(3-methylcyclohexyl)oxyethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-(3-methylcyclohexyl)oxyethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-(3-methylcyclohexyl)oxyethyl]cyclopentan-1-ol is CC1CCCC(OCCC2CCCC2(O)CN)C1.
What is the InChIKey of 1-(aminomethyl)-2-[2-(3-methylcyclohexyl)oxyethyl]cyclopentan-1-ol?
The InChIKey is PQSUCKBNWRTCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12-4-2-6-14(10-12)18-9-7-13-5-3-8-15(13,17)11-16/h12-14,17H,2-11,16H2,1H3.
What are the key properties of 1-(aminomethyl)-2-[2-(3-methylcyclohexyl)oxyethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-(3-methylcyclohexyl)oxyethyl]cyclopentan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[2-(3-methylcyclohexyl)oxyethyl]cyclopentan-1-ol is sourced from PubChem (CID 79588135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).