(Z)-5-methyl-3-(methyliminomethyl)hex-2-en-2-amine

C9H18N2 — CID 156898706

IUPAC(Z)-5-methyl-3-(methyliminomethyl)hex-2-en-2-amine
SMILESC/N=C/C(CC(C)C)=C(/C)N
InChIInChI=1S/C9H18N2/c1-7(2)5-9(6-11-4)8(3)10/h6-7H,5,10H2,1-4H3/b9-8-,11-6+
InChIKeyKKAHCZHMCNZJKV-XSONURMYSA-N
MW154.26 g/mol
LogP1.97
Rot. Bonds3

About (Z)-5-methyl-3-(methyliminomethyl)hex-2-en-2-amine

(Z)-5-methyl-3-(methyliminomethyl)hex-2-en-2-amine (PubChem CID 156898706) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (Z)-5-methyl-3-(methyliminomethyl)hex-2-en-2-amine.

Molecular Properties

Compound Name(Z)-5-methyl-3-(methyliminomethyl)hex-2-en-2-amine
PubChem CID156898706
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(Z)-5-methyl-3-(methyliminomethyl)hex-2-en-2-amine
SMILESC/N=C/C(CC(C)C)=C(/C)N
InChIInChI=1S/C9H18N2/c1-7(2)5-9(6-11-4)8(3)10/h6-7H,5,10H2,1-4H3/b9-8-,11-6+
InChIKeyKKAHCZHMCNZJKV-XSONURMYSA-N
XLogP1.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(1-aminoethylidene)-N-ethyl-4-methylpentanimidoyl fluoride
CID 156898951
(Z)-3-(2-fluoroethyliminomethyl)-4-methylpent-2-en-2-amine
CID 170635933
(Z)-5-methyl-4-(methyliminomethyl)hex-3-en-3-amine
CID 88579646
(Z)-2,5-dimethyl-4-(methyliminomethyl)hex-3-en-3-amine
CID 89002637
4-Methyl-2-(methyliminomethyl)cyclohexen-1-amine
CID 89041577
(Z)-3-methanimidoylhept-2-en-2-amine
CID 89142772
(Z)-4-methanimidoyl-2,5-dimethylhex-3-en-3-amine
CID 90075990
(Z)-4-(methyliminomethyl)hex-3-en-3-amine
CID 90299196
3-Ethyl-6,7-dimethyl-3,4-dihydroazepin-5-imine
CID 123161081
N-ethyl-1-(4-ethyl-5-methyl-3,4-dihydropyridin-6-yl)methanimine
CID 123384655
2-ethyl-N-[(E)-2-(ethylideneamino)-4-iminopent-2-en-3-yl]-3-methylbutan-1-imine
CID 126593320
4-methyl-3-N-(2-methylbutylidene)pent-3-ene-2,3-diimine
CID 126599283

Frequently Asked Questions

What is the IUPAC name of (Z)-5-methyl-3-(methyliminomethyl)hex-2-en-2-amine?
The IUPAC name of (Z)-5-methyl-3-(methyliminomethyl)hex-2-en-2-amine (CID 156898706) is (Z)-5-methyl-3-(methyliminomethyl)hex-2-en-2-amine.
What is the SMILES notation for (Z)-5-methyl-3-(methyliminomethyl)hex-2-en-2-amine?
The canonical SMILES for (Z)-5-methyl-3-(methyliminomethyl)hex-2-en-2-amine is C/N=C/C(CC(C)C)=C(/C)N.
What is the InChIKey of (Z)-5-methyl-3-(methyliminomethyl)hex-2-en-2-amine?
The InChIKey is KKAHCZHMCNZJKV-XSONURMYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)5-9(6-11-4)8(3)10/h6-7H,5,10H2,1-4H3/b9-8-,11-6+.
What are the key properties of (Z)-5-methyl-3-(methyliminomethyl)hex-2-en-2-amine?
(Z)-5-methyl-3-(methyliminomethyl)hex-2-en-2-amine has a molecular weight of 154.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-3-(methyliminomethyl)hex-2-en-2-amine is sourced from PubChem (CID 156898706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).