1-amino-N-(2-hydroxycycloheptyl)cyclohexane-1-carboxamide

C14H26N2O2 — CID 113394747

IUPAC1-amino-N-(2-hydroxycycloheptyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)NC2CCCCCC2O)CCCCC1
InChIInChI=1S/C14H26N2O2/c15-14(9-5-2-6-10-14)13(18)16-11-7-3-1-4-8-12(11)17/h11-12,17H,1-10,15H2,(H,16,18)
InChIKeyGUTGNAZMTDGUAJ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.46
Rot. Bonds2

About 1-amino-N-(2-hydroxycycloheptyl)cyclohexane-1-carboxamide

1-amino-N-(2-hydroxycycloheptyl)cyclohexane-1-carboxamide (PubChem CID 113394747) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-amino-N-(2-hydroxycycloheptyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-hydroxycycloheptyl)cyclohexane-1-carboxamide
PubChem CID113394747
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-amino-N-(2-hydroxycycloheptyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)NC2CCCCCC2O)CCCCC1
InChIInChI=1S/C14H26N2O2/c15-14(9-5-2-6-10-14)13(18)16-11-7-3-1-4-8-12(11)17/h11-12,17H,1-10,15H2,(H,16,18)
InChIKeyGUTGNAZMTDGUAJ-UHFFFAOYSA-N
XLogP1.46
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-hydroxycycloheptyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-hydroxycycloheptyl)cyclohexane-1-carboxamide (CID 113394747) is 1-amino-N-(2-hydroxycycloheptyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-hydroxycycloheptyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-hydroxycycloheptyl)cyclohexane-1-carboxamide is NC1(C(=O)NC2CCCCCC2O)CCCCC1.
What is the InChIKey of 1-amino-N-(2-hydroxycycloheptyl)cyclohexane-1-carboxamide?
The InChIKey is GUTGNAZMTDGUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c15-14(9-5-2-6-10-14)13(18)16-11-7-3-1-4-8-12(11)17/h11-12,17H,1-10,15H2,(H,16,18).
What are the key properties of 1-amino-N-(2-hydroxycycloheptyl)cyclohexane-1-carboxamide?
1-amino-N-(2-hydroxycycloheptyl)cyclohexane-1-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-hydroxycycloheptyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 113394747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).