trans-(1S,3S)-3-N-(3,5-dichloro-2-pyridinyl)cyclopentane-1,3-diamine

C10H13Cl2N3 — CID 133130819

IUPACtrans-(1S,3S)-3-N-(3,5-dichloro-2-pyridinyl)cyclopentane-1,3-diamine
SMILESN[C@H]1CC[C@H](Nc2ncc(Cl)cc2Cl)C1
InChIInChI=1S/C10H13Cl2N3/c11-6-3-9(12)10(14-5-6)15-8-2-1-7(13)4-8/h3,5,7-8H,1-2,4,13H2,(H,14,15)/t7-,8-/m0/s1
InChIKeyMJJXSYWKMRKLJT-YUMQZZPRSA-N
MW246.14 g/mol
LogP2.68
Rot. Bonds2

About trans-(1S,3S)-3-N-(3,5-dichloro-2-pyridinyl)cyclopentane-1,3-diamine

trans-(1S,3S)-3-N-(3,5-dichloro-2-pyridinyl)cyclopentane-1,3-diamine (PubChem CID 133130819) has the molecular formula C10H13Cl2N3 and a molecular weight of 246.14 g/mol. Its IUPAC name is trans-(1S,3S)-3-N-(3,5-dichloro-2-pyridinyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-N-(3,5-dichloro-2-pyridinyl)cyclopentane-1,3-diamine
PubChem CID133130819
Molecular FormulaC10H13Cl2N3
Molecular Weight246.14 g/mol
Exact Mass245.05
IUPAC Nametrans-(1S,3S)-3-N-(3,5-dichloro-2-pyridinyl)cyclopentane-1,3-diamine
SMILESN[C@H]1CC[C@H](Nc2ncc(Cl)cc2Cl)C1
InChIInChI=1S/C10H13Cl2N3/c11-6-3-9(12)10(14-5-6)15-8-2-1-7(13)4-8/h3,5,7-8H,1-2,4,13H2,(H,14,15)/t7-,8-/m0/s1
InChIKeyMJJXSYWKMRKLJT-YUMQZZPRSA-N
XLogP2.68
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-Chloro-2-pyridinyl)-4-piperidinamine hydrochloride
CID 131746
2-Amino-5-chloropyridine
CID 66174
2-Amino-3-chloropyridine
CID 693267
1-(3,5-Dichloropyridin-2-yl)piperazine
CID 2771431
1-(5-Chloropyridin-2-yl)piperazine
CID 3805301
1-(3-Chloropyridin-2-yl)piperazine
CID 11412944
1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepane
CID 735734
3,5-Dichloro-3-pyridylamine
CID 77886
Urea, 1-(5-chloro-2-pyridyl)-3-methyl-
CID 99418
5-chloro-N-methylpyridin-2-amine
CID 3837024
3,5-dichloro-N-methylpyridin-2-amine
CID 23423792
1-(3-Chloranyl-5-iodanyl-pyridin-2-yl)piperazine
CID 162371033

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-N-(3,5-dichloro-2-pyridinyl)cyclopentane-1,3-diamine?
The IUPAC name of trans-(1S,3S)-3-N-(3,5-dichloro-2-pyridinyl)cyclopentane-1,3-diamine (CID 133130819) is trans-(1S,3S)-3-N-(3,5-dichloro-2-pyridinyl)cyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1S,3S)-3-N-(3,5-dichloro-2-pyridinyl)cyclopentane-1,3-diamine?
The canonical SMILES for trans-(1S,3S)-3-N-(3,5-dichloro-2-pyridinyl)cyclopentane-1,3-diamine is N[C@H]1CC[C@H](Nc2ncc(Cl)cc2Cl)C1.
What is the InChIKey of trans-(1S,3S)-3-N-(3,5-dichloro-2-pyridinyl)cyclopentane-1,3-diamine?
The InChIKey is MJJXSYWKMRKLJT-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H13Cl2N3/c11-6-3-9(12)10(14-5-6)15-8-2-1-7(13)4-8/h3,5,7-8H,1-2,4,13H2,(H,14,15)/t7-,8-/m0/s1.
What are the key properties of trans-(1S,3S)-3-N-(3,5-dichloro-2-pyridinyl)cyclopentane-1,3-diamine?
trans-(1S,3S)-3-N-(3,5-dichloro-2-pyridinyl)cyclopentane-1,3-diamine has a molecular weight of 246.14 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-N-(3,5-dichloro-2-pyridinyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 133130819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).