8-amino-4-cycloheptyl-1-hydroxyoctan-3-one

C15H29NO2 — CID 170197479

IUPAC8-amino-4-cycloheptyl-1-hydroxyoctan-3-one
SMILESNCCCCC(C(=O)CCO)C1CCCCCC1
InChIInChI=1S/C15H29NO2/c16-11-6-5-9-14(15(18)10-12-17)13-7-3-1-2-4-8-13/h13-14,17H,1-12,16H2
InChIKeyWJPQTLUKBXJGJX-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.65
Rot. Bonds8

About 8-amino-4-cycloheptyl-1-hydroxyoctan-3-one

8-amino-4-cycloheptyl-1-hydroxyoctan-3-one (PubChem CID 170197479) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 8-amino-4-cycloheptyl-1-hydroxyoctan-3-one.

Molecular Properties

Compound Name8-amino-4-cycloheptyl-1-hydroxyoctan-3-one
PubChem CID170197479
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name8-amino-4-cycloheptyl-1-hydroxyoctan-3-one
SMILESNCCCCC(C(=O)CCO)C1CCCCCC1
InChIInChI=1S/C15H29NO2/c16-11-6-5-9-14(15(18)10-12-17)13-7-3-1-2-4-8-13/h13-14,17H,1-12,16H2
InChIKeyWJPQTLUKBXJGJX-UHFFFAOYSA-N
XLogP2.65
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 19004831
8-amino-3-cyclohexyl-4-ethyloctanoic acid
CID 21327818
6-amino-N-(1-cyclohexylethyl)hexanamide
CID 55069317
6-amino-2-(cyclopentylamino)hexanoic acid
CID 19080804
2-cyclohexyl-12-hydroxyoctadecanamide
CID 174957428
bis(prop-2-enyl) 2-cyclohexylhexanedioate
CID 139909505
5-chloro-2-cyclohexylpentanehydrazide
CID 66839454
1,2-dicyclohexylhexadecan-1-one
CID 142760088
2-cycloheptyl-3-hydroxypropanoic acid
CID 83817561
2-cyclopentyltridecanoic acid
CID 22665117

Frequently Asked Questions

What is the IUPAC name of 8-amino-4-cycloheptyl-1-hydroxyoctan-3-one?
The IUPAC name of 8-amino-4-cycloheptyl-1-hydroxyoctan-3-one (CID 170197479) is 8-amino-4-cycloheptyl-1-hydroxyoctan-3-one.
What is the SMILES notation for 8-amino-4-cycloheptyl-1-hydroxyoctan-3-one?
The canonical SMILES for 8-amino-4-cycloheptyl-1-hydroxyoctan-3-one is NCCCCC(C(=O)CCO)C1CCCCCC1.
What is the InChIKey of 8-amino-4-cycloheptyl-1-hydroxyoctan-3-one?
The InChIKey is WJPQTLUKBXJGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c16-11-6-5-9-14(15(18)10-12-17)13-7-3-1-2-4-8-13/h13-14,17H,1-12,16H2.
What are the key properties of 8-amino-4-cycloheptyl-1-hydroxyoctan-3-one?
8-amino-4-cycloheptyl-1-hydroxyoctan-3-one has a molecular weight of 255.40 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4-cycloheptyl-1-hydroxyoctan-3-one is sourced from PubChem (CID 170197479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).