trans-(1S,4R)-1-N,3-N,3-N-trimethyl-4-phenylcyclohexane-1,3-diamine

C15H24N2 — CID 154933089

IUPACtrans-(1S,4R)-1-N,3-N,3-N-trimethyl-4-phenylcyclohexane-1,3-diamine
SMILESCN[C@H]1CC[C@H](c2ccccc2)C(N(C)C)C1
InChIInChI=1S/C15H24N2/c1-16-13-9-10-14(15(11-13)17(2)3)12-7-5-4-6-8-12/h4-8,13-16H,9-11H2,1-3H3/t13-,14+,15?/m0/s1
InChIKeyUZCKWXRSDWMDDL-SNTRVMSOSA-N
MW232.37 g/mol
LogP2.47
Rot. Bonds3

About trans-(1S,4R)-1-N,3-N,3-N-trimethyl-4-phenylcyclohexane-1,3-diamine

trans-(1S,4R)-1-N,3-N,3-N-trimethyl-4-phenylcyclohexane-1,3-diamine (PubChem CID 154933089) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is trans-(1S,4R)-1-N,3-N,3-N-trimethyl-4-phenylcyclohexane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1S,4R)-1-N,3-N,3-N-trimethyl-4-phenylcyclohexane-1,3-diamine
PubChem CID154933089
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Nametrans-(1S,4R)-1-N,3-N,3-N-trimethyl-4-phenylcyclohexane-1,3-diamine
SMILESCN[C@H]1CC[C@H](c2ccccc2)C(N(C)C)C1
InChIInChI=1S/C15H24N2/c1-16-13-9-10-14(15(11-13)17(2)3)12-7-5-4-6-8-12/h4-8,13-16H,9-11H2,1-3H3/t13-,14+,15?/m0/s1
InChIKeyUZCKWXRSDWMDDL-SNTRVMSOSA-N
XLogP2.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,4R)-1-N,3-N,3-N-trimethyl-4-phenylcyclohexane-1,3-diamine?
The IUPAC name of trans-(1S,4R)-1-N,3-N,3-N-trimethyl-4-phenylcyclohexane-1,3-diamine (CID 154933089) is trans-(1S,4R)-1-N,3-N,3-N-trimethyl-4-phenylcyclohexane-1,3-diamine.
What is the SMILES notation for trans-(1S,4R)-1-N,3-N,3-N-trimethyl-4-phenylcyclohexane-1,3-diamine?
The canonical SMILES for trans-(1S,4R)-1-N,3-N,3-N-trimethyl-4-phenylcyclohexane-1,3-diamine is CN[C@H]1CC[C@H](c2ccccc2)C(N(C)C)C1.
What is the InChIKey of trans-(1S,4R)-1-N,3-N,3-N-trimethyl-4-phenylcyclohexane-1,3-diamine?
The InChIKey is UZCKWXRSDWMDDL-SNTRVMSOSA-N. The full InChI is InChI=1S/C15H24N2/c1-16-13-9-10-14(15(11-13)17(2)3)12-7-5-4-6-8-12/h4-8,13-16H,9-11H2,1-3H3/t13-,14+,15?/m0/s1.
What are the key properties of trans-(1S,4R)-1-N,3-N,3-N-trimethyl-4-phenylcyclohexane-1,3-diamine?
trans-(1S,4R)-1-N,3-N,3-N-trimethyl-4-phenylcyclohexane-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,4R)-1-N,3-N,3-N-trimethyl-4-phenylcyclohexane-1,3-diamine is sourced from PubChem (CID 154933089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).