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

C5H10Cl2N2 — CID 121422053

IUPACtrans-(1R,2R)-1-N,2-N-dichlorocyclopentane-1,2-diamine
SMILESClN[C@@H]1CCC[C@H]1NCl
InChIInChI=1S/C5H10Cl2N2/c6-8-4-2-1-3-5(4)9-7/h4-5,8-9H,1-3H2/t4-,5-/m1/s1
InChIKeyZKTUHGZLVHHLPJ-RFZPGFLSSA-N
MW169.05 g/mol
LogP1.39
Rot. Bonds2

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

trans-(1R,2R)-1-N,2-N-dichlorocyclopentane-1,2-diamine (PubChem CID 121422053) has the molecular formula C5H10Cl2N2 and a molecular weight of 169.05 g/mol. Its IUPAC name is trans-(1R,2R)-1-N,2-N-dichlorocyclopentane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N,2-N-dichlorocyclopentane-1,2-diamine
PubChem CID121422053
Molecular FormulaC5H10Cl2N2
Molecular Weight169.05 g/mol
Exact Mass168.02
IUPAC Nametrans-(1R,2R)-1-N,2-N-dichlorocyclopentane-1,2-diamine
SMILESClN[C@@H]1CCC[C@H]1NCl
InChIInChI=1S/C5H10Cl2N2/c6-8-4-2-1-3-5(4)9-7/h4-5,8-9H,1-3H2/t4-,5-/m1/s1
InChIKeyZKTUHGZLVHHLPJ-RFZPGFLSSA-N
XLogP1.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.05
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-1-N,2-N-dichloro-3,3-difluorocyclohexane-1,2-diamine
CID 59603992
cis-(1S,6R)-6-(chloroamino)-2,2-difluorocyclohexan-1-ol
CID 154938165
trans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine
CID 129406607
N-chlorocyclohexanamine;platinum
CID 161373787
trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine
CID 71351363
N-(2,3-dimethylcyclopentyl)-2,3-dimethylcyclohexan-1-amine
CID 64909530
1-chloro-2-cyclohexylhydrazine
CID 88855064
trans-(1R,2R)-N-ethyl-2-fluorocyclopentan-1-amine
CID 126847838
N-(2-chlorocyclopentyl)cycloheptanamine
CID 127002051
(2S)-1-N-ethylcyclopentane-1,2-diamine
CID 134287800
cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine
CID 124708997
cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 94586193

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-N,2-N-dichlorocyclopentane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-1-N,2-N-dichlorocyclopentane-1,2-diamine (CID 121422053) is trans-(1R,2R)-1-N,2-N-dichlorocyclopentane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-1-N,2-N-dichlorocyclopentane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-1-N,2-N-dichlorocyclopentane-1,2-diamine is ClN[C@@H]1CCC[C@H]1NCl.
What is the InChIKey of trans-(1R,2R)-1-N,2-N-dichlorocyclopentane-1,2-diamine?
The InChIKey is ZKTUHGZLVHHLPJ-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H10Cl2N2/c6-8-4-2-1-3-5(4)9-7/h4-5,8-9H,1-3H2/t4-,5-/m1/s1.
What are the key properties of trans-(1R,2R)-1-N,2-N-dichlorocyclopentane-1,2-diamine?
trans-(1R,2R)-1-N,2-N-dichlorocyclopentane-1,2-diamine has a molecular weight of 169.05 g/mol, XLogP of 1.39, 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-dichlorocyclopentane-1,2-diamine is sourced from PubChem (CID 121422053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).