cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol

C7H15NO — CID 2724658

IUPACcis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol
SMILESNC[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C7H15NO/c8-5-6-3-1-2-4-7(6)9/h6-7,9H,1-5,8H2/t6-,7+/m0/s1
InChIKeyJGKFBZBVCAWDFD-NKWVEPMBSA-N
MW129.20 g/mol
LogP0.50
Rot. Bonds1

About cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol

cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol (PubChem CID 2724658) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol
PubChem CID2724658
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Namecis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol
SMILESNC[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C7H15NO/c8-5-6-3-1-2-4-7(6)9/h6-7,9H,1-5,8H2/t6-,7+/m0/s1
InChIKeyJGKFBZBVCAWDFD-NKWVEPMBSA-N
XLogP0.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol (CID 2724658) is cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol is NC[C@@H]1CCCC[C@H]1O.
What is the InChIKey of cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol?
The InChIKey is JGKFBZBVCAWDFD-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H15NO/c8-5-6-3-1-2-4-7(6)9/h6-7,9H,1-5,8H2/t6-,7+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol?
cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol is sourced from PubChem (CID 2724658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).