(1R,3R,4R)-1,4-dimethylcyclopentane-1,3-diamine

C7H16N2 — CID 124747898

IUPAC(1R,3R,4R)-1,4-dimethylcyclopentane-1,3-diamine
SMILESC[C@@H]1C[C@@](C)(N)C[C@H]1N
InChIInChI=1S/C7H16N2/c1-5-3-7(2,9)4-6(5)8/h5-6H,3-4,8-9H2,1-2H3/t5-,6-,7-/m1/s1
InChIKeyVCULFWOAEZSESU-FSDSQADBSA-N
MW128.22 g/mol
LogP0.46
Rot. Bonds

About (1R,3R,4R)-1,4-dimethylcyclopentane-1,3-diamine

(1R,3R,4R)-1,4-dimethylcyclopentane-1,3-diamine (PubChem CID 124747898) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (1R,3R,4R)-1,4-dimethylcyclopentane-1,3-diamine.

Molecular Properties

Compound Name(1R,3R,4R)-1,4-dimethylcyclopentane-1,3-diamine
PubChem CID124747898
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(1R,3R,4R)-1,4-dimethylcyclopentane-1,3-diamine
SMILESC[C@@H]1C[C@@](C)(N)C[C@H]1N
InChIInChI=1S/C7H16N2/c1-5-3-7(2,9)4-6(5)8/h5-6H,3-4,8-9H2,1-2H3/t5-,6-,7-/m1/s1
InChIKeyVCULFWOAEZSESU-FSDSQADBSA-N
XLogP0.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R)-1,4-dimethylcyclopentane-1,3-diamine?
The IUPAC name of (1R,3R,4R)-1,4-dimethylcyclopentane-1,3-diamine (CID 124747898) is (1R,3R,4R)-1,4-dimethylcyclopentane-1,3-diamine.
What is the SMILES notation for (1R,3R,4R)-1,4-dimethylcyclopentane-1,3-diamine?
The canonical SMILES for (1R,3R,4R)-1,4-dimethylcyclopentane-1,3-diamine is C[C@@H]1C[C@@](C)(N)C[C@H]1N.
What is the InChIKey of (1R,3R,4R)-1,4-dimethylcyclopentane-1,3-diamine?
The InChIKey is VCULFWOAEZSESU-FSDSQADBSA-N. The full InChI is InChI=1S/C7H16N2/c1-5-3-7(2,9)4-6(5)8/h5-6H,3-4,8-9H2,1-2H3/t5-,6-,7-/m1/s1.
What are the key properties of (1R,3R,4R)-1,4-dimethylcyclopentane-1,3-diamine?
(1R,3R,4R)-1,4-dimethylcyclopentane-1,3-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R)-1,4-dimethylcyclopentane-1,3-diamine is sourced from PubChem (CID 124747898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).