trans-(1R,2R)-2-[dimethylamino(phenyl)methyl]-N-propylcyclohexan-1-amine

C18H30N2 — CID 174463045

IUPACtrans-(1R,2R)-2-[dimethylamino(phenyl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCN[C@@H]1CCCC[C@H]1C(c1ccccc1)N(C)C
InChIInChI=1S/C18H30N2/c1-4-14-19-17-13-9-8-12-16(17)18(20(2)3)15-10-6-5-7-11-15/h5-7,10-11,16-19H,4,8-9,12-14H2,1-3H3/t16-,17-,18?/m1/s1
InChIKeyMRFDKVQVENNLGB-OWZOALSMSA-N
MW274.45 g/mol
LogP3.85
Rot. Bonds6

About trans-(1R,2R)-2-[dimethylamino(phenyl)methyl]-N-propylcyclohexan-1-amine

trans-(1R,2R)-2-[dimethylamino(phenyl)methyl]-N-propylcyclohexan-1-amine (PubChem CID 174463045) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is trans-(1R,2R)-2-[dimethylamino(phenyl)methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[dimethylamino(phenyl)methyl]-N-propylcyclohexan-1-amine
PubChem CID174463045
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Nametrans-(1R,2R)-2-[dimethylamino(phenyl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCN[C@@H]1CCCC[C@H]1C(c1ccccc1)N(C)C
InChIInChI=1S/C18H30N2/c1-4-14-19-17-13-9-8-12-16(17)18(20(2)3)15-10-6-5-7-11-15/h5-7,10-11,16-19H,4,8-9,12-14H2,1-3H3/t16-,17-,18?/m1/s1
InChIKeyMRFDKVQVENNLGB-OWZOALSMSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2S)-2-[dimethylamino(phenyl)methyl]cyclohexyl]acetamide;hydrochloride
CID 175240823
2-propan-2-yl-N-propylcyclohexan-1-amine
CID 62603110
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
cis-(1S,2S)-2-[dimethylamino(phenyl)methyl]cycloheptan-1-ol;hydrochloride
CID 70600717
N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 62616342
2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine
CID 63466024
2-(1-phenylethoxy)-N-propylcyclopentan-1-amine
CID 55036153
2-N-methyl-2-N-(2-phenylethyl)-1-N-propylcyclohexane-1,2-diamine
CID 65488170
1-N-methyl-1-N-(2-phenylethyl)-2-N-propylcycloheptane-1,2-diamine
CID 65485884
2-pentan-2-yl-N-propylcyclohexan-1-amine
CID 107886768
2-phenylsulfanyl-N-propylcyclopentan-1-amine
CID 22486376
2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine
CID 114605846

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[dimethylamino(phenyl)methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-[dimethylamino(phenyl)methyl]-N-propylcyclohexan-1-amine (CID 174463045) is trans-(1R,2R)-2-[dimethylamino(phenyl)methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-[dimethylamino(phenyl)methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-[dimethylamino(phenyl)methyl]-N-propylcyclohexan-1-amine is CCCN[C@@H]1CCCC[C@H]1C(c1ccccc1)N(C)C.
What is the InChIKey of trans-(1R,2R)-2-[dimethylamino(phenyl)methyl]-N-propylcyclohexan-1-amine?
The InChIKey is MRFDKVQVENNLGB-OWZOALSMSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-14-19-17-13-9-8-12-16(17)18(20(2)3)15-10-6-5-7-11-15/h5-7,10-11,16-19H,4,8-9,12-14H2,1-3H3/t16-,17-,18?/m1/s1.
What are the key properties of trans-(1R,2R)-2-[dimethylamino(phenyl)methyl]-N-propylcyclohexan-1-amine?
trans-(1R,2R)-2-[dimethylamino(phenyl)methyl]-N-propylcyclohexan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[dimethylamino(phenyl)methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 174463045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).