trans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine

C16H26N2 — CID 96587905

IUPACtrans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine
SMILESCN[C@@H]1CCCC[C@H]1N(C)CCc1ccccc1
InChIInChI=1S/C16H26N2/c1-17-15-10-6-7-11-16(15)18(2)13-12-14-8-4-3-5-9-14/h3-5,8-9,15-17H,6-7,10-13H2,1-2H3/t15-,16-/m1/s1
InChIKeyMOKHWWPGWNAHOV-HZPDHXFCSA-N
MW246.40 g/mol
LogP2.69
Rot. Bonds5

About trans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine

trans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine (PubChem CID 96587905) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is trans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine
PubChem CID96587905
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Nametrans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine
SMILESCN[C@@H]1CCCC[C@H]1N(C)CCc1ccccc1
InChIInChI=1S/C16H26N2/c1-17-15-10-6-7-11-16(15)18(2)13-12-14-8-4-3-5-9-14/h3-5,8-9,15-17H,6-7,10-13H2,1-2H3/t15-,16-/m1/s1
InChIKeyMOKHWWPGWNAHOV-HZPDHXFCSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine (CID 96587905) is trans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine is CN[C@@H]1CCCC[C@H]1N(C)CCc1ccccc1.
What is the InChIKey of trans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine?
The InChIKey is MOKHWWPGWNAHOV-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H26N2/c1-17-15-10-6-7-11-16(15)18(2)13-12-14-8-4-3-5-9-14/h3-5,8-9,15-17H,6-7,10-13H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine?
trans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 96587905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).