trans-(1S,2S)-2-(2-amino-3-methoxypropyl)cyclohexan-1-amine

C10H22N2O — CID 118112378

IUPACtrans-(1S,2S)-2-(2-amino-3-methoxypropyl)cyclohexan-1-amine
SMILESCOCC(N)C[C@@H]1CCCC[C@@H]1N
InChIInChI=1S/C10H22N2O/c1-13-7-9(11)6-8-4-2-3-5-10(8)12/h8-10H,2-7,11-12H2,1H3/t8-,9?,10-/m0/s1
InChIKeyUJWYZAVSVIWNPZ-SMILAEQMSA-N
MW186.30 g/mol
LogP0.87
Rot. Bonds4

About trans-(1S,2S)-2-(2-amino-3-methoxypropyl)cyclohexan-1-amine

trans-(1S,2S)-2-(2-amino-3-methoxypropyl)cyclohexan-1-amine (PubChem CID 118112378) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-amino-3-methoxypropyl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-amino-3-methoxypropyl)cyclohexan-1-amine
PubChem CID118112378
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Nametrans-(1S,2S)-2-(2-amino-3-methoxypropyl)cyclohexan-1-amine
SMILESCOCC(N)C[C@@H]1CCCC[C@@H]1N
InChIInChI=1S/C10H22N2O/c1-13-7-9(11)6-8-4-2-3-5-10(8)12/h8-10H,2-7,11-12H2,1H3/t8-,9?,10-/m0/s1
InChIKeyUJWYZAVSVIWNPZ-SMILAEQMSA-N
XLogP0.87
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-amino-3-methoxypropyl)cyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-2-(2-amino-3-methoxypropyl)cyclohexan-1-amine (CID 118112378) is trans-(1S,2S)-2-(2-amino-3-methoxypropyl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-(2-amino-3-methoxypropyl)cyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-(2-amino-3-methoxypropyl)cyclohexan-1-amine is COCC(N)C[C@@H]1CCCC[C@@H]1N.
What is the InChIKey of trans-(1S,2S)-2-(2-amino-3-methoxypropyl)cyclohexan-1-amine?
The InChIKey is UJWYZAVSVIWNPZ-SMILAEQMSA-N. The full InChI is InChI=1S/C10H22N2O/c1-13-7-9(11)6-8-4-2-3-5-10(8)12/h8-10H,2-7,11-12H2,1H3/t8-,9?,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-amino-3-methoxypropyl)cyclohexan-1-amine?
trans-(1S,2S)-2-(2-amino-3-methoxypropyl)cyclohexan-1-amine has a molecular weight of 186.30 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-amino-3-methoxypropyl)cyclohexan-1-amine is sourced from PubChem (CID 118112378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).