1-(3,5-dichloro-2-pyridinyl)pent-4-en-1-amine

C10H12Cl2N2 — CID 79779879

IUPAC1-(3,5-dichloro-2-pyridinyl)pent-4-en-1-amine
SMILESC=CCCC(N)c1ncc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2/c1-2-3-4-9(13)10-8(12)5-7(11)6-14-10/h2,5-6,9H,1,3-4,13H2
InChIKeyCTUVEJASBDIANK-UHFFFAOYSA-N
MW231.13 g/mol
LogP3.35
Rot. Bonds4

About 1-(3,5-dichloro-2-pyridinyl)pent-4-en-1-amine

1-(3,5-dichloro-2-pyridinyl)pent-4-en-1-amine (PubChem CID 79779879) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)pent-4-en-1-amine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)pent-4-en-1-amine
PubChem CID79779879
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Name1-(3,5-dichloro-2-pyridinyl)pent-4-en-1-amine
SMILESC=CCCC(N)c1ncc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2/c1-2-3-4-9(13)10-8(12)5-7(11)6-14-10/h2,5-6,9H,1,3-4,13H2
InChIKeyCTUVEJASBDIANK-UHFFFAOYSA-N
XLogP3.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)pent-4-en-1-amine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)pent-4-en-1-amine (CID 79779879) is 1-(3,5-dichloro-2-pyridinyl)pent-4-en-1-amine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)pent-4-en-1-amine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)pent-4-en-1-amine is C=CCCC(N)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)pent-4-en-1-amine?
The InChIKey is CTUVEJASBDIANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2/c1-2-3-4-9(13)10-8(12)5-7(11)6-14-10/h2,5-6,9H,1,3-4,13H2.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)pent-4-en-1-amine?
1-(3,5-dichloro-2-pyridinyl)pent-4-en-1-amine has a molecular weight of 231.13 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)pent-4-en-1-amine is sourced from PubChem (CID 79779879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).