(E)-4-chloro-N,N-bis(prop-2-enyl)but-2-en-1-amine

C10H16ClN — CID 135048142

IUPAC(E)-4-chloro-N,N-bis(prop-2-enyl)but-2-en-1-amine
SMILESC=CCN(CC=C)C/C=C/CCl
InChIInChI=1S/C10H16ClN/c1-3-8-12(9-4-2)10-6-5-7-11/h3-6H,1-2,7-10H2/b6-5+
InChIKeyNOIDEOMWZMAPOH-AATRIKPKSA-N
MW185.70 g/mol
LogP2.46
Rot. Bonds7

About (E)-4-chloro-N,N-bis(prop-2-enyl)but-2-en-1-amine

(E)-4-chloro-N,N-bis(prop-2-enyl)but-2-en-1-amine (PubChem CID 135048142) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is (E)-4-chloro-N,N-bis(prop-2-enyl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-chloro-N,N-bis(prop-2-enyl)but-2-en-1-amine
PubChem CID135048142
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC Name(E)-4-chloro-N,N-bis(prop-2-enyl)but-2-en-1-amine
SMILESC=CCN(CC=C)C/C=C/CCl
InChIInChI=1S/C10H16ClN/c1-3-8-12(9-4-2)10-6-5-7-11/h3-6H,1-2,7-10H2/b6-5+
InChIKeyNOIDEOMWZMAPOH-AATRIKPKSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 52.46
H-Bond Donors ≤ 50
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 (E)-4-chloro-N,N-bis(prop-2-enyl)but-2-en-1-amine?
The IUPAC name of (E)-4-chloro-N,N-bis(prop-2-enyl)but-2-en-1-amine (CID 135048142) is (E)-4-chloro-N,N-bis(prop-2-enyl)but-2-en-1-amine.
What is the SMILES notation for (E)-4-chloro-N,N-bis(prop-2-enyl)but-2-en-1-amine?
The canonical SMILES for (E)-4-chloro-N,N-bis(prop-2-enyl)but-2-en-1-amine is C=CCN(CC=C)C/C=C/CCl.
What is the InChIKey of (E)-4-chloro-N,N-bis(prop-2-enyl)but-2-en-1-amine?
The InChIKey is NOIDEOMWZMAPOH-AATRIKPKSA-N. The full InChI is InChI=1S/C10H16ClN/c1-3-8-12(9-4-2)10-6-5-7-11/h3-6H,1-2,7-10H2/b6-5+.
What are the key properties of (E)-4-chloro-N,N-bis(prop-2-enyl)but-2-en-1-amine?
(E)-4-chloro-N,N-bis(prop-2-enyl)but-2-en-1-amine has a molecular weight of 185.70 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-chloro-N,N-bis(prop-2-enyl)but-2-en-1-amine is sourced from PubChem (CID 135048142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).