trans-(1S,2S)-2-N-tert-butyl-1-N,1-N-dimethylcyclopentane-1,2-diamine

C11H24N2 — CID 134429389

IUPACtrans-(1S,2S)-2-N-tert-butyl-1-N,1-N-dimethylcyclopentane-1,2-diamine
SMILESCN(C)[C@H]1CCC[C@@H]1NC(C)(C)C
InChIInChI=1S/C11H24N2/c1-11(2,3)12-9-7-6-8-10(9)13(4)5/h9-10,12H,6-8H2,1-5H3/t9-,10-/m0/s1
InChIKeyPPYMVYLBPWEWSN-UWVGGRQHSA-N
MW184.33 g/mol
LogP1.86
Rot. Bonds2

About trans-(1S,2S)-2-N-tert-butyl-1-N,1-N-dimethylcyclopentane-1,2-diamine

trans-(1S,2S)-2-N-tert-butyl-1-N,1-N-dimethylcyclopentane-1,2-diamine (PubChem CID 134429389) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is trans-(1S,2S)-2-N-tert-butyl-1-N,1-N-dimethylcyclopentane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-N-tert-butyl-1-N,1-N-dimethylcyclopentane-1,2-diamine
PubChem CID134429389
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Nametrans-(1S,2S)-2-N-tert-butyl-1-N,1-N-dimethylcyclopentane-1,2-diamine
SMILESCN(C)[C@H]1CCC[C@@H]1NC(C)(C)C
InChIInChI=1S/C11H24N2/c1-11(2,3)12-9-7-6-8-10(9)13(4)5/h9-10,12H,6-8H2,1-5H3/t9-,10-/m0/s1
InChIKeyPPYMVYLBPWEWSN-UWVGGRQHSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-N-tert-butyl-1-N,1-N-dimethylcyclopentane-1,2-diamine?
The IUPAC name of trans-(1S,2S)-2-N-tert-butyl-1-N,1-N-dimethylcyclopentane-1,2-diamine (CID 134429389) is trans-(1S,2S)-2-N-tert-butyl-1-N,1-N-dimethylcyclopentane-1,2-diamine.
What is the SMILES notation for trans-(1S,2S)-2-N-tert-butyl-1-N,1-N-dimethylcyclopentane-1,2-diamine?
The canonical SMILES for trans-(1S,2S)-2-N-tert-butyl-1-N,1-N-dimethylcyclopentane-1,2-diamine is CN(C)[C@H]1CCC[C@@H]1NC(C)(C)C.
What is the InChIKey of trans-(1S,2S)-2-N-tert-butyl-1-N,1-N-dimethylcyclopentane-1,2-diamine?
The InChIKey is PPYMVYLBPWEWSN-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H24N2/c1-11(2,3)12-9-7-6-8-10(9)13(4)5/h9-10,12H,6-8H2,1-5H3/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-N-tert-butyl-1-N,1-N-dimethylcyclopentane-1,2-diamine?
trans-(1S,2S)-2-N-tert-butyl-1-N,1-N-dimethylcyclopentane-1,2-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-N-tert-butyl-1-N,1-N-dimethylcyclopentane-1,2-diamine is sourced from PubChem (CID 134429389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).