trans-(1S,2S)-N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine

C17H25NO — CID 71769138

IUPACtrans-(1S,2S)-N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine
SMILESCN(C)[C@H]1CCCC[C@@H]1OC/C=C/c1ccccc1
InChIInChI=1S/C17H25NO/c1-18(2)16-12-6-7-13-17(16)19-14-8-11-15-9-4-3-5-10-15/h3-5,8-11,16-17H,6-7,12-14H2,1-2H3/b11-8+/t16-,17-/m0/s1
InChIKeyHYFJQSQZTSOCBD-BAMWUGHESA-N
MW259.39 g/mol
LogP3.59
Rot. Bonds5

About trans-(1S,2S)-N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine

trans-(1S,2S)-N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine (PubChem CID 71769138) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is trans-(1S,2S)-N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine
PubChem CID71769138
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Nametrans-(1S,2S)-N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine
SMILESCN(C)[C@H]1CCCC[C@@H]1OC/C=C/c1ccccc1
InChIInChI=1S/C17H25NO/c1-18(2)16-12-6-7-13-17(16)19-14-8-11-15-9-4-3-5-10-15/h3-5,8-11,16-17H,6-7,12-14H2,1-2H3/b11-8+/t16-,17-/m0/s1
InChIKeyHYFJQSQZTSOCBD-BAMWUGHESA-N
XLogP3.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine (CID 71769138) is trans-(1S,2S)-N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine is CN(C)[C@H]1CCCC[C@@H]1OC/C=C/c1ccccc1.
What is the InChIKey of trans-(1S,2S)-N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine?
The InChIKey is HYFJQSQZTSOCBD-BAMWUGHESA-N. The full InChI is InChI=1S/C17H25NO/c1-18(2)16-12-6-7-13-17(16)19-14-8-11-15-9-4-3-5-10-15/h3-5,8-11,16-17H,6-7,12-14H2,1-2H3/b11-8+/t16-,17-/m0/s1.
What are the key properties of trans-(1S,2S)-N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine?
trans-(1S,2S)-N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine is sourced from PubChem (CID 71769138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).