trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine

C10H22N2 — CID 101240385

IUPACtrans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine
SMILESCN(C)[C@H]1CCC[C@H](N(C)C)C1
InChIInChI=1S/C10H22N2/c1-11(2)9-6-5-7-10(8-9)12(3)4/h9-10H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKeyJFELWAUCTMBZPP-UWVGGRQHSA-N
MW170.30 g/mol
LogP1.42
Rot. Bonds2

About trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine

trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine (PubChem CID 101240385) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine
PubChem CID101240385
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Nametrans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine
SMILESCN(C)[C@H]1CCC[C@H](N(C)C)C1
InChIInChI=1S/C10H22N2/c1-11(2)9-6-5-7-10(8-9)12(3)4/h9-10H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKeyJFELWAUCTMBZPP-UWVGGRQHSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine?
The IUPAC name of trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine (CID 101240385) is trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine.
What is the SMILES notation for trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine?
The canonical SMILES for trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine is CN(C)[C@H]1CCC[C@H](N(C)C)C1.
What is the InChIKey of trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine?
The InChIKey is JFELWAUCTMBZPP-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H22N2/c1-11(2)9-6-5-7-10(8-9)12(3)4/h9-10H,5-8H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine?
trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine is sourced from PubChem (CID 101240385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).