trans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine

C7H16N2 — CID 129406607

IUPACtrans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine
SMILESCN[C@@H]1CCC[C@H]1NC
InChIInChI=1S/C7H16N2/c1-8-6-4-3-5-7(6)9-2/h6-9H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyBLAIRNNBMSDUQN-RNFRBKRXSA-N
MW128.22 g/mol
LogP0.35
Rot. Bonds2

About trans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine

trans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine (PubChem CID 129406607) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is trans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine
PubChem CID129406607
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Nametrans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine
SMILESCN[C@@H]1CCC[C@H]1NC
InChIInChI=1S/C7H16N2/c1-8-6-4-3-5-7(6)9-2/h6-9H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyBLAIRNNBMSDUQN-RNFRBKRXSA-N
XLogP0.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine (CID 129406607) is trans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine is CN[C@@H]1CCC[C@H]1NC.
What is the InChIKey of trans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine?
The InChIKey is BLAIRNNBMSDUQN-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H16N2/c1-8-6-4-3-5-7(6)9-2/h6-9H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine?
trans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine is sourced from PubChem (CID 129406607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).