1-chloropentane;N-prop-2-enylprop-2-en-1-amine

C11H22ClN — CID 174946903

IUPAC1-chloropentane;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNCC=C.CCCCCCl
InChIInChI=1S/C6H11N.C5H11Cl/c1-3-5-7-6-4-2;1-2-3-4-5-6/h3-4,7H,1-2,5-6H2;2-5H2,1H3
InChIKeyIMMQBXWKMQMNIP-UHFFFAOYSA-N
MW203.76 g/mol
LogP3.36
Rot. Bonds7

About 1-chloropentane;N-prop-2-enylprop-2-en-1-amine

1-chloropentane;N-prop-2-enylprop-2-en-1-amine (PubChem CID 174946903) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is 1-chloropentane;N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Name1-chloropentane;N-prop-2-enylprop-2-en-1-amine
PubChem CID174946903
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Name1-chloropentane;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNCC=C.CCCCCCl
InChIInChI=1S/C6H11N.C5H11Cl/c1-3-5-7-6-4-2;1-2-3-4-5-6/h3-4,7H,1-2,5-6H2;2-5H2,1H3
InChIKeyIMMQBXWKMQMNIP-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of 1-chloropentane;N-prop-2-enylprop-2-en-1-amine (CID 174946903) is 1-chloropentane;N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for 1-chloropentane;N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for 1-chloropentane;N-prop-2-enylprop-2-en-1-amine is C=CCNCC=C.CCCCCCl.
What is the InChIKey of 1-chloropentane;N-prop-2-enylprop-2-en-1-amine?
The InChIKey is IMMQBXWKMQMNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C5H11Cl/c1-3-5-7-6-4-2;1-2-3-4-5-6/h3-4,7H,1-2,5-6H2;2-5H2,1H3.
What are the key properties of 1-chloropentane;N-prop-2-enylprop-2-en-1-amine?
1-chloropentane;N-prop-2-enylprop-2-en-1-amine has a molecular weight of 203.76 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 174946903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).