2-chloro-2-prop-2-enylpent-4-en-1-amine

C8H14ClN — CID 87643832

IUPAC2-chloro-2-prop-2-enylpent-4-en-1-amine
SMILESC=CCC(Cl)(CN)CC=C
InChIInChI=1S/C8H14ClN/c1-3-5-8(9,7-10)6-4-2/h3-4H,1-2,5-7,10H2
InChIKeyFDNGFCIXVUFGRJ-UHFFFAOYSA-N
MW159.66 g/mol
LogP2.07
Rot. Bonds5

About 2-chloro-2-prop-2-enylpent-4-en-1-amine

2-chloro-2-prop-2-enylpent-4-en-1-amine (PubChem CID 87643832) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is 2-chloro-2-prop-2-enylpent-4-en-1-amine.

Molecular Properties

Compound Name2-chloro-2-prop-2-enylpent-4-en-1-amine
PubChem CID87643832
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Name2-chloro-2-prop-2-enylpent-4-en-1-amine
SMILESC=CCC(Cl)(CN)CC=C
InChIInChI=1S/C8H14ClN/c1-3-5-8(9,7-10)6-4-2/h3-4H,1-2,5-7,10H2
InChIKeyFDNGFCIXVUFGRJ-UHFFFAOYSA-N
XLogP2.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 2-chloro-2-prop-2-enylpent-4-en-1-amine?
The IUPAC name of 2-chloro-2-prop-2-enylpent-4-en-1-amine (CID 87643832) is 2-chloro-2-prop-2-enylpent-4-en-1-amine.
What is the SMILES notation for 2-chloro-2-prop-2-enylpent-4-en-1-amine?
The canonical SMILES for 2-chloro-2-prop-2-enylpent-4-en-1-amine is C=CCC(Cl)(CN)CC=C.
What is the InChIKey of 2-chloro-2-prop-2-enylpent-4-en-1-amine?
The InChIKey is FDNGFCIXVUFGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN/c1-3-5-8(9,7-10)6-4-2/h3-4H,1-2,5-7,10H2.
What are the key properties of 2-chloro-2-prop-2-enylpent-4-en-1-amine?
2-chloro-2-prop-2-enylpent-4-en-1-amine has a molecular weight of 159.66 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-prop-2-enylpent-4-en-1-amine is sourced from PubChem (CID 87643832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).