[1-(aminomethyl)cycloheptyl]-(4-hydroxy-4-methylazepan-1-yl)methanone

C16H30N2O2 — CID 107404084

IUPAC[1-(aminomethyl)cycloheptyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2(CN)CCCCCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-15(20)7-6-11-18(12-10-15)14(19)16(13-17)8-4-2-3-5-9-16/h20H,2-13,17H2,1H3
InChIKeyHSGHGCZSBFZKAB-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.05
Rot. Bonds2

About [1-(aminomethyl)cycloheptyl]-(4-hydroxy-4-methylazepan-1-yl)methanone

[1-(aminomethyl)cycloheptyl]-(4-hydroxy-4-methylazepan-1-yl)methanone (PubChem CID 107404084) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is [1-(aminomethyl)cycloheptyl]-(4-hydroxy-4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cycloheptyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
PubChem CID107404084
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name[1-(aminomethyl)cycloheptyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2(CN)CCCCCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-15(20)7-6-11-18(12-10-15)14(19)16(13-17)8-4-2-3-5-9-16/h20H,2-13,17H2,1H3
InChIKeyHSGHGCZSBFZKAB-UHFFFAOYSA-N
XLogP2.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cycloheptyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)cycloheptyl]-(4-hydroxy-4-methylazepan-1-yl)methanone (CID 107404084) is [1-(aminomethyl)cycloheptyl]-(4-hydroxy-4-methylazepan-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cycloheptyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cycloheptyl]-(4-hydroxy-4-methylazepan-1-yl)methanone is CC1(O)CCCN(C(=O)C2(CN)CCCCCC2)CC1.
What is the InChIKey of [1-(aminomethyl)cycloheptyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
The InChIKey is HSGHGCZSBFZKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-15(20)7-6-11-18(12-10-15)14(19)16(13-17)8-4-2-3-5-9-16/h20H,2-13,17H2,1H3.
What are the key properties of [1-(aminomethyl)cycloheptyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
[1-(aminomethyl)cycloheptyl]-(4-hydroxy-4-methylazepan-1-yl)methanone has a molecular weight of 282.43 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cycloheptyl]-(4-hydroxy-4-methylazepan-1-yl)methanone is sourced from PubChem (CID 107404084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).