N-methyl-2-methyliminopent-3-en-1-amine

C7H14N2 — CID 123205396

IUPACN-methyl-2-methyliminopent-3-en-1-amine
SMILESCC=C/C(CNC)=N\C
InChIInChI=1S/C7H14N2/c1-4-5-7(9-3)6-8-2/h4-5,8H,6H2,1-3H3/b5-4?,9-7+
InChIKeyIGQTUYZDMYUASY-VZUAUHPGSA-N
MW126.20 g/mol
LogP0.85
Rot. Bonds3

About N-methyl-2-methyliminopent-3-en-1-amine

N-methyl-2-methyliminopent-3-en-1-amine (PubChem CID 123205396) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-methyl-2-methyliminopent-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-methyliminopent-3-en-1-amine
PubChem CID123205396
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-methyl-2-methyliminopent-3-en-1-amine
SMILESCC=C/C(CNC)=N\C
InChIInChI=1S/C7H14N2/c1-4-5-7(9-3)6-8-2/h4-5,8H,6H2,1-3H3/b5-4?,9-7+
InChIKeyIGQTUYZDMYUASY-VZUAUHPGSA-N
XLogP0.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.85
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

(Z)-2-ethylimino-5-fluorohex-3-en-1-amine
CID 143075712
2,6-dihydro-1H-pyridin-1-ium-3-imine
CID 57053248
N-methyl-1-(2H-pyrrol-5-yl)methanamine
CID 58270092
2H-pyrrol-5-ylmethanamine
CID 67991228
2,3-Dihydropyridin-6-ylmethanamine
CID 70426662
2,3-Dihydropyridin-6-yl(methylamino)methanethiol
CID 88273566
(Z)-5-N-methylhex-3-ene-2,5-diimine
CID 89591069
(Z)-4-N-methylpent-2-ene-1,4-diimine
CID 90308470
1-(3-chloro-2,3-dihydropyridin-6-yl)-N-methylmethanamine
CID 91056081
2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine
CID 91302499
1-(4H-azepin-7-yl)-N-methylmethanamine
CID 91307733
(Z)-2-iminohept-3-en-1-amine
CID 91316058

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methyliminopent-3-en-1-amine?
The IUPAC name of N-methyl-2-methyliminopent-3-en-1-amine (CID 123205396) is N-methyl-2-methyliminopent-3-en-1-amine.
What is the SMILES notation for N-methyl-2-methyliminopent-3-en-1-amine?
The canonical SMILES for N-methyl-2-methyliminopent-3-en-1-amine is CC=C/C(CNC)=N\C.
What is the InChIKey of N-methyl-2-methyliminopent-3-en-1-amine?
The InChIKey is IGQTUYZDMYUASY-VZUAUHPGSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-5-7(9-3)6-8-2/h4-5,8H,6H2,1-3H3/b5-4?,9-7+.
What are the key properties of N-methyl-2-methyliminopent-3-en-1-amine?
N-methyl-2-methyliminopent-3-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methyliminopent-3-en-1-amine is sourced from PubChem (CID 123205396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).