1-(aminomethyl)-2-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]cyclopentan-1-ol

C18H34N2O — CID 79588118

IUPAC1-(aminomethyl)-2-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]cyclopentan-1-ol
SMILESNCC1(O)CCCC1CCN1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H34N2O/c19-15-18(21)9-4-5-16(18)6-12-20-13-10-17(11-14-20)7-2-1-3-8-17/h16,21H,1-15,19H2
InChIKeyYNJDYKDNOYMLLH-UHFFFAOYSA-N
MW294.48 g/mol
LogP2.91
Rot. Bonds4

About 1-(aminomethyl)-2-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]cyclopentan-1-ol

1-(aminomethyl)-2-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]cyclopentan-1-ol (PubChem CID 79588118) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]cyclopentan-1-ol
PubChem CID79588118
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name1-(aminomethyl)-2-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]cyclopentan-1-ol
SMILESNCC1(O)CCCC1CCN1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H34N2O/c19-15-18(21)9-4-5-16(18)6-12-20-13-10-17(11-14-20)7-2-1-3-8-17/h16,21H,1-15,19H2
InChIKeyYNJDYKDNOYMLLH-UHFFFAOYSA-N
XLogP2.91
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 52.91
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-azaspiro[5.5]undecan-3-yl)ethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]cyclopentan-1-ol (CID 79588118) is 1-(aminomethyl)-2-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]cyclopentan-1-ol is NCC1(O)CCCC1CCN1CCC2(CCCCC2)CC1.
What is the InChIKey of 1-(aminomethyl)-2-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]cyclopentan-1-ol?
The InChIKey is YNJDYKDNOYMLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c19-15-18(21)9-4-5-16(18)6-12-20-13-10-17(11-14-20)7-2-1-3-8-17/h16,21H,1-15,19H2.
What are the key properties of 1-(aminomethyl)-2-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]cyclopentan-1-ol has a molecular weight of 294.48 g/mol, XLogP of 2.91, 4 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-azaspiro[5.5]undecan-3-yl)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79588118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).