5-chloro-3-methylpent-3-en-2-imine

C6H10ClN — CID 174617581

IUPAC5-chloro-3-methylpent-3-en-2-imine
SMILES[H]/N=C(\C)C(C)=CCCl
InChIInChI=1S/C6H10ClN/c1-5(3-4-7)6(2)8/h3,8H,4H2,1-2H3/b5-3?,8-6+
InChIKeyBYUJETPIVASLFC-NIXDYCKDSA-N
MW131.61 g/mol
LogP2.21
Rot. Bonds2

About 5-chloro-3-methylpent-3-en-2-imine

5-chloro-3-methylpent-3-en-2-imine (PubChem CID 174617581) has the molecular formula C6H10ClN and a molecular weight of 131.61 g/mol. Its IUPAC name is 5-chloro-3-methylpent-3-en-2-imine.

Molecular Properties

Compound Name5-chloro-3-methylpent-3-en-2-imine
PubChem CID174617581
Molecular FormulaC6H10ClN
Molecular Weight131.61 g/mol
Exact Mass131.05
IUPAC Name5-chloro-3-methylpent-3-en-2-imine
SMILES[H]/N=C(\C)C(C)=CCCl
InChIInChI=1S/C6H10ClN/c1-5(3-4-7)6(2)8/h3,8H,4H2,1-2H3/b5-3?,8-6+
InChIKeyBYUJETPIVASLFC-NIXDYCKDSA-N
XLogP2.21
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.61
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-methylhept-3-ene-2,6-diimine
CID 123609238
4-chloro-2-methylbut-2-en-1-ol
CID 71386874
2,3-diiminobutan-1-amine
CID 123340860
(Z)-4-methyl-2-propan-2-ylidenehex-3-ene-1,5-diimine
CID 146288740
methylcyclopentane;(E)-3-methylpent-3-en-2-imine
CID 144805325
1-(1,1-difluoroethyl)-4-methylbenzene;ethane;(Z)-3-methylhex-3-en-2-imine
CID 176922631
ethane;methoxymethane;(Z)-3-methyl-5-(3-phenylphenyl)pent-3-en-2-imine
CID 145051761
(E)-2-imino-3-methylpent-3-en-1-amine
CID 170222558
(3Z,5Z)-6-[6-[(1Z,3Z)-5-imino-2,4-dimethylhexa-1,3-dienoxy]hexoxy]-3,5-dimethylhexa-3,5-dien-2-imine
CID 167523417
4-chlorobut-2-en-2-yl(trimethyl)silane
CID 71434756
(Z)-4-iminopent-2-en-3-amine
CID 147180053
(E)-1-chloro-3,4-dimethylpent-2-ene
CID 14510616

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methylpent-3-en-2-imine?
The IUPAC name of 5-chloro-3-methylpent-3-en-2-imine (CID 174617581) is 5-chloro-3-methylpent-3-en-2-imine.
What is the SMILES notation for 5-chloro-3-methylpent-3-en-2-imine?
The canonical SMILES for 5-chloro-3-methylpent-3-en-2-imine is [H]/N=C(\C)C(C)=CCCl.
What is the InChIKey of 5-chloro-3-methylpent-3-en-2-imine?
The InChIKey is BYUJETPIVASLFC-NIXDYCKDSA-N. The full InChI is InChI=1S/C6H10ClN/c1-5(3-4-7)6(2)8/h3,8H,4H2,1-2H3/b5-3?,8-6+.
What are the key properties of 5-chloro-3-methylpent-3-en-2-imine?
5-chloro-3-methylpent-3-en-2-imine has a molecular weight of 131.61 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methylpent-3-en-2-imine is sourced from PubChem (CID 174617581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).