1-chloropentane;ethane-1,2-diamine

C7H19ClN2 — CID 174805290

IUPAC1-chloropentane;ethane-1,2-diamine
SMILESCCCCCCl.NCCN
InChIInChI=1S/C5H11Cl.C2H8N2/c1-2-3-4-5-6;3-1-2-4/h2-5H2,1H3;1-4H2
InChIKeyODSZYVDFCKHGIH-UHFFFAOYSA-N
MW166.70 g/mol
LogP1.32
Rot. Bonds4

About 1-chloropentane;ethane-1,2-diamine

1-chloropentane;ethane-1,2-diamine (PubChem CID 174805290) has the molecular formula C7H19ClN2 and a molecular weight of 166.70 g/mol. Its IUPAC name is 1-chloropentane;ethane-1,2-diamine.

Molecular Properties

Compound Name1-chloropentane;ethane-1,2-diamine
PubChem CID174805290
Molecular FormulaC7H19ClN2
Molecular Weight166.70 g/mol
Exact Mass166.12
IUPAC Name1-chloropentane;ethane-1,2-diamine
SMILESCCCCCCl.NCCN
InChIInChI=1S/C5H11Cl.C2H8N2/c1-2-3-4-5-6;3-1-2-4/h2-5H2,1H3;1-4H2
InChIKeyODSZYVDFCKHGIH-UHFFFAOYSA-N
XLogP1.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.70
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chlorononane
CID 17185
1-chloropentadecane
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1-chloropentane;tetracosane
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1-chloropentane;octacosane
CID 174937871
1-chloropentane;ethane
CID 175284520
1-chloropentane;pentadecane
CID 174295582
aminoazanium;1-chlorohexadecane
CID 20542976
CID 87162953
CID 87162953
1-chloropentane;zirconium;octahydrate
CID 175544911
alumane;1-chloropentane;hydrate
CID 173313037
1-chloropentane;methylphosphane
CID 174465004
1-chloropentane;2-methylpropan-1-amine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;ethane-1,2-diamine?
The IUPAC name of 1-chloropentane;ethane-1,2-diamine (CID 174805290) is 1-chloropentane;ethane-1,2-diamine.
What is the SMILES notation for 1-chloropentane;ethane-1,2-diamine?
The canonical SMILES for 1-chloropentane;ethane-1,2-diamine is CCCCCCl.NCCN.
What is the InChIKey of 1-chloropentane;ethane-1,2-diamine?
The InChIKey is ODSZYVDFCKHGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl.C2H8N2/c1-2-3-4-5-6;3-1-2-4/h2-5H2,1H3;1-4H2.
What are the key properties of 1-chloropentane;ethane-1,2-diamine?
1-chloropentane;ethane-1,2-diamine has a molecular weight of 166.70 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;ethane-1,2-diamine is sourced from PubChem (CID 174805290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).