4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylazepan-4-ol

C16H32N2O — CID 79124838

IUPAC4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(C2(CN)CCC(C)C2)CC1
InChIInChI=1S/C16H32N2O/c1-3-9-18-10-4-6-16(19,8-11-18)15(13-17)7-5-14(2)12-15/h14,19H,3-13,17H2,1-2H3
InChIKeyOYAFVDJGXBLRFU-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.38
Rot. Bonds4

About 4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylazepan-4-ol

4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylazepan-4-ol (PubChem CID 79124838) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylazepan-4-ol.

Molecular Properties

Compound Name4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylazepan-4-ol
PubChem CID79124838
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(C2(CN)CCC(C)C2)CC1
InChIInChI=1S/C16H32N2O/c1-3-9-18-10-4-6-16(19,8-11-18)15(13-17)7-5-14(2)12-15/h14,19H,3-13,17H2,1-2H3
InChIKeyOYAFVDJGXBLRFU-UHFFFAOYSA-N
XLogP2.38
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylazepan-4-ol?
The IUPAC name of 4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylazepan-4-ol (CID 79124838) is 4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylazepan-4-ol.
What is the SMILES notation for 4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylazepan-4-ol?
The canonical SMILES for 4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylazepan-4-ol is CCCN1CCCC(O)(C2(CN)CCC(C)C2)CC1.
What is the InChIKey of 4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylazepan-4-ol?
The InChIKey is OYAFVDJGXBLRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-9-18-10-4-6-16(19,8-11-18)15(13-17)7-5-14(2)12-15/h14,19H,3-13,17H2,1-2H3.
What are the key properties of 4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylazepan-4-ol?
4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylazepan-4-ol has a molecular weight of 268.44 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylazepan-4-ol is sourced from PubChem (CID 79124838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).