5-chloro-N-methyl-2-propa-1,2-dienylhexa-2,4-dien-1-amine

C10H14ClN — CID 123567614

IUPAC5-chloro-N-methyl-2-propa-1,2-dienylhexa-2,4-dien-1-amine
SMILESC=C=CC(=CC=C(C)Cl)CNC
InChIInChI=1S/C10H14ClN/c1-4-5-10(8-12-3)7-6-9(2)11/h5-7,12H,1,8H2,2-3H3
InChIKeyVLLOPGJQZWNVPB-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.62
Rot. Bonds4

About 5-chloro-N-methyl-2-propa-1,2-dienylhexa-2,4-dien-1-amine

5-chloro-N-methyl-2-propa-1,2-dienylhexa-2,4-dien-1-amine (PubChem CID 123567614) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-propa-1,2-dienylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-2-propa-1,2-dienylhexa-2,4-dien-1-amine
PubChem CID123567614
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name5-chloro-N-methyl-2-propa-1,2-dienylhexa-2,4-dien-1-amine
SMILESC=C=CC(=CC=C(C)Cl)CNC
InChIInChI=1S/C10H14ClN/c1-4-5-10(8-12-3)7-6-9(2)11/h5-7,12H,1,8H2,2-3H3
InChIKeyVLLOPGJQZWNVPB-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 123985485
ethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine
CID 143499023
(3E,5E)-6-chloro-3-methylhepta-3,5-dienoyl chloride
CID 155315731
(2E,4E)-2-chloro-5-methoxyhexa-2,4-diene
CID 122521311
6-chloro-3-methylhepta-3,5-dien-2-one
CID 123359720
(1Z,3Z)-4-ethenyl-N,N',2-trimethylpenta-1,3-diene-1,5-diamine
CID 143603614
(E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine
CID 130178000
(2Z)-3-chloro-2-ethenyl-N-methylpenta-2,4-dien-1-amine
CID 145065726
CID 166111126
CID 166111126
(5Z,7E)-8-chloronona-1,5,7-triene
CID 142147168
(4E)-4-methylhexa-1,2,4-triene
CID 90999929
7-fluoro-4-methylhepta-1,2,4-triene
CID 57085200

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-propa-1,2-dienylhexa-2,4-dien-1-amine?
The IUPAC name of 5-chloro-N-methyl-2-propa-1,2-dienylhexa-2,4-dien-1-amine (CID 123567614) is 5-chloro-N-methyl-2-propa-1,2-dienylhexa-2,4-dien-1-amine.
What is the SMILES notation for 5-chloro-N-methyl-2-propa-1,2-dienylhexa-2,4-dien-1-amine?
The canonical SMILES for 5-chloro-N-methyl-2-propa-1,2-dienylhexa-2,4-dien-1-amine is C=C=CC(=CC=C(C)Cl)CNC.
What is the InChIKey of 5-chloro-N-methyl-2-propa-1,2-dienylhexa-2,4-dien-1-amine?
The InChIKey is VLLOPGJQZWNVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-4-5-10(8-12-3)7-6-9(2)11/h5-7,12H,1,8H2,2-3H3.
What are the key properties of 5-chloro-N-methyl-2-propa-1,2-dienylhexa-2,4-dien-1-amine?
5-chloro-N-methyl-2-propa-1,2-dienylhexa-2,4-dien-1-amine has a molecular weight of 183.68 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-propa-1,2-dienylhexa-2,4-dien-1-amine is sourced from PubChem (CID 123567614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).