trans-(1S,3S)-3-methoxycyclohexan-1-amine;hydrochloride

C7H16ClNO — CID 155920903

IUPACtrans-(1S,3S)-3-methoxycyclohexan-1-amine;hydrochloride
SMILESCO[C@H]1CCC[C@H](N)C1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-9-7-4-2-3-6(8)5-7;/h6-7H,2-5,8H2,1H3;1H/t6-,7-;/m0./s1
InChIKeyVUHNATIEYBXEGU-LEUCUCNGSA-N
MW165.66 g/mol
LogP1.32
Rot. Bonds1

About trans-(1S,3S)-3-methoxycyclohexan-1-amine;hydrochloride

trans-(1S,3S)-3-methoxycyclohexan-1-amine;hydrochloride (PubChem CID 155920903) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is trans-(1S,3S)-3-methoxycyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,3S)-3-methoxycyclohexan-1-amine;hydrochloride
PubChem CID155920903
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Nametrans-(1S,3S)-3-methoxycyclohexan-1-amine;hydrochloride
SMILESCO[C@H]1CCC[C@H](N)C1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-9-7-4-2-3-6(8)5-7;/h6-7H,2-5,8H2,1H3;1H/t6-,7-;/m0./s1
InChIKeyVUHNATIEYBXEGU-LEUCUCNGSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-methoxycyclohexan-1-amine;hydrochloride?
The IUPAC name of trans-(1S,3S)-3-methoxycyclohexan-1-amine;hydrochloride (CID 155920903) is trans-(1S,3S)-3-methoxycyclohexan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1S,3S)-3-methoxycyclohexan-1-amine;hydrochloride?
The canonical SMILES for trans-(1S,3S)-3-methoxycyclohexan-1-amine;hydrochloride is CO[C@H]1CCC[C@H](N)C1.Cl.
What is the InChIKey of trans-(1S,3S)-3-methoxycyclohexan-1-amine;hydrochloride?
The InChIKey is VUHNATIEYBXEGU-LEUCUCNGSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-9-7-4-2-3-6(8)5-7;/h6-7H,2-5,8H2,1H3;1H/t6-,7-;/m0./s1.
What are the key properties of trans-(1S,3S)-3-methoxycyclohexan-1-amine;hydrochloride?
trans-(1S,3S)-3-methoxycyclohexan-1-amine;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-methoxycyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 155920903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).