2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cycloheptane-1-carboxamide

C14H26N2O2 — CID 107221615

IUPAC2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cycloheptane-1-carboxamide
SMILESNC1CCCCCC1C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H26N2O2/c15-11-7-3-1-2-6-10(11)14(18)16-12-8-4-5-9-13(12)17/h10-13,17H,1-9,15H2,(H,16,18)/t10?,11?,12-,13-/m0/s1
InChIKeyWSGRCRYZOPKTGS-TYUFSLCMSA-N
MW254.37 g/mol
LogP1.31
Rot. Bonds2

About 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cycloheptane-1-carboxamide

2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cycloheptane-1-carboxamide (PubChem CID 107221615) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cycloheptane-1-carboxamide
PubChem CID107221615
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cycloheptane-1-carboxamide
SMILESNC1CCCCCC1C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H26N2O2/c15-11-7-3-1-2-6-10(11)14(18)16-12-8-4-5-9-13(12)17/h10-13,17H,1-9,15H2,(H,16,18)/t10?,11?,12-,13-/m0/s1
InChIKeyWSGRCRYZOPKTGS-TYUFSLCMSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cycloheptane-1-carboxamide?
The IUPAC name of 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cycloheptane-1-carboxamide (CID 107221615) is 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cycloheptane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cycloheptane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cycloheptane-1-carboxamide is NC1CCCCCC1C(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cycloheptane-1-carboxamide?
The InChIKey is WSGRCRYZOPKTGS-TYUFSLCMSA-N. The full InChI is InChI=1S/C14H26N2O2/c15-11-7-3-1-2-6-10(11)14(18)16-12-8-4-5-9-13(12)17/h10-13,17H,1-9,15H2,(H,16,18)/t10?,11?,12-,13-/m0/s1.
What are the key properties of 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cycloheptane-1-carboxamide?
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cycloheptane-1-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cycloheptane-1-carboxamide is sourced from PubChem (CID 107221615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).