(E)-4-chloro-N-methyl-2-methylidenehex-3-en-1-amine

C8H14ClN — CID 89204376

IUPAC(E)-4-chloro-N-methyl-2-methylidenehex-3-en-1-amine
SMILESC=C(/C=C(/Cl)CC)CNC
InChIInChI=1S/C8H14ClN/c1-4-8(9)5-7(2)6-10-3/h5,10H,2,4,6H2,1,3H3/b8-5+
InChIKeySBIMEPBKVMABHL-VMPITWQZSA-N
MW159.66 g/mol
LogP2.29
Rot. Bonds4

About (E)-4-chloro-N-methyl-2-methylidenehex-3-en-1-amine

(E)-4-chloro-N-methyl-2-methylidenehex-3-en-1-amine (PubChem CID 89204376) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is (E)-4-chloro-N-methyl-2-methylidenehex-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-chloro-N-methyl-2-methylidenehex-3-en-1-amine
PubChem CID89204376
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Name(E)-4-chloro-N-methyl-2-methylidenehex-3-en-1-amine
SMILESC=C(/C=C(/Cl)CC)CNC
InChIInChI=1S/C8H14ClN/c1-4-8(9)5-7(2)6-10-3/h5,10H,2,4,6H2,1,3H3/b8-5+
InChIKeySBIMEPBKVMABHL-VMPITWQZSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-chloro-N-methyl-2-methylidenehex-3-en-1-amine?
The IUPAC name of (E)-4-chloro-N-methyl-2-methylidenehex-3-en-1-amine (CID 89204376) is (E)-4-chloro-N-methyl-2-methylidenehex-3-en-1-amine.
What is the SMILES notation for (E)-4-chloro-N-methyl-2-methylidenehex-3-en-1-amine?
The canonical SMILES for (E)-4-chloro-N-methyl-2-methylidenehex-3-en-1-amine is C=C(/C=C(/Cl)CC)CNC.
What is the InChIKey of (E)-4-chloro-N-methyl-2-methylidenehex-3-en-1-amine?
The InChIKey is SBIMEPBKVMABHL-VMPITWQZSA-N. The full InChI is InChI=1S/C8H14ClN/c1-4-8(9)5-7(2)6-10-3/h5,10H,2,4,6H2,1,3H3/b8-5+.
What are the key properties of (E)-4-chloro-N-methyl-2-methylidenehex-3-en-1-amine?
(E)-4-chloro-N-methyl-2-methylidenehex-3-en-1-amine has a molecular weight of 159.66 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-chloro-N-methyl-2-methylidenehex-3-en-1-amine is sourced from PubChem (CID 89204376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).