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

C6H14N2 — CID 89035848

IUPACtrans-(1R,2R)-1-N-methylcyclopentane-1,2-diamine
SMILESCN[C@@H]1CCC[C@H]1N
InChIInChI=1S/C6H14N2/c1-8-6-4-2-3-5(6)7/h5-6,8H,2-4,7H2,1H3/t5-,6-/m1/s1
InChIKeyNVCOVOPUIYCNSW-PHDIDXHHSA-N
MW114.19 g/mol
LogP0.09
Rot. Bonds1

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

trans-(1R,2R)-1-N-methylcyclopentane-1,2-diamine (PubChem CID 89035848) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is trans-(1R,2R)-1-N-methylcyclopentane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N-methylcyclopentane-1,2-diamine
PubChem CID89035848
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Nametrans-(1R,2R)-1-N-methylcyclopentane-1,2-diamine
SMILESCN[C@@H]1CCC[C@H]1N
InChIInChI=1S/C6H14N2/c1-8-6-4-2-3-5(6)7/h5-6,8H,2-4,7H2,1H3/t5-,6-/m1/s1
InChIKeyNVCOVOPUIYCNSW-PHDIDXHHSA-N
XLogP0.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.09
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-methylcyclopentane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-1-N-methylcyclopentane-1,2-diamine (CID 89035848) is trans-(1R,2R)-1-N-methylcyclopentane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-1-N-methylcyclopentane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-1-N-methylcyclopentane-1,2-diamine is CN[C@@H]1CCC[C@H]1N.
What is the InChIKey of trans-(1R,2R)-1-N-methylcyclopentane-1,2-diamine?
The InChIKey is NVCOVOPUIYCNSW-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H14N2/c1-8-6-4-2-3-5(6)7/h5-6,8H,2-4,7H2,1H3/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-1-N-methylcyclopentane-1,2-diamine?
trans-(1R,2R)-1-N-methylcyclopentane-1,2-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.09, 1 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-methylcyclopentane-1,2-diamine is sourced from PubChem (CID 89035848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).