[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid

C8H16N2O2 — CID 124566826

IUPAC[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
SMILESNC[C@H]1CCCC[C@@H]1NC(=O)O
InChIInChI=1S/C8H16N2O2/c9-5-6-3-1-2-4-7(6)10-8(11)12/h6-7,10H,1-5,9H2,(H,11,12)/t6-,7+/m1/s1
InChIKeyQNQUHLMOZMVGFN-RQJHMYQMSA-N
MW172.23 g/mol
LogP0.77
Rot. Bonds2

About [(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid

[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid (PubChem CID 124566826) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is [(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
PubChem CID124566826
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
SMILESNC[C@H]1CCCC[C@@H]1NC(=O)O
InChIInChI=1S/C8H16N2O2/c9-5-6-3-1-2-4-7(6)10-8(11)12/h6-7,10H,1-5,9H2,(H,11,12)/t6-,7+/m1/s1
InChIKeyQNQUHLMOZMVGFN-RQJHMYQMSA-N
XLogP0.77
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566827
[(1S,2R)-2-(aminomethyl)cyclopentyl]urea
CID 94903973
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
1-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea
CID 116658641
N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride
CID 119611809
N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide
CID 119601992
N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride
CID 119609146
N-[2-(aminomethyl)cyclohexyl]thiane-4-carboxamide
CID 119612086
N-[2-(aminomethyl)cyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310394
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide
CID 119612594
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride
CID 119610509

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid?
The IUPAC name of [(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid (CID 124566826) is [(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid.
What is the SMILES notation for [(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid?
The canonical SMILES for [(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid is NC[C@H]1CCCC[C@@H]1NC(=O)O.
What is the InChIKey of [(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid?
The InChIKey is QNQUHLMOZMVGFN-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H16N2O2/c9-5-6-3-1-2-4-7(6)10-8(11)12/h6-7,10H,1-5,9H2,(H,11,12)/t6-,7+/m1/s1.
What are the key properties of [(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid?
[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid has a molecular weight of 172.23 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 124566826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).