2-imino-N-methylpent-3-en-1-amine

C6H12N2 — CID 123939168

IUPAC2-imino-N-methylpent-3-en-1-amine
SMILES[H]/N=C(\C=CC)CNC
InChIInChI=1S/C6H12N2/c1-3-4-6(7)5-8-2/h3-4,7-8H,5H2,1-2H3/b4-3?,7-6+
InChIKeyRVBKIJGOZGAWBM-HWNSXMLTSA-N
MW112.18 g/mol
LogP0.80
Rot. Bonds3

About 2-imino-N-methylpent-3-en-1-amine

2-imino-N-methylpent-3-en-1-amine (PubChem CID 123939168) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-imino-N-methylpent-3-en-1-amine.

Molecular Properties

Compound Name2-imino-N-methylpent-3-en-1-amine
PubChem CID123939168
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-imino-N-methylpent-3-en-1-amine
SMILES[H]/N=C(\C=CC)CNC
InChIInChI=1S/C6H12N2/c1-3-4-6(7)5-8-2/h3-4,7-8H,5H2,1-2H3/b4-3?,7-6+
InChIKeyRVBKIJGOZGAWBM-HWNSXMLTSA-N
XLogP0.80
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dihydro-1H-pyridin-1-ium-3-imine
CID 57053248
N-methyl-1-(2H-pyrrol-5-yl)methanamine
CID 58270092
2,3-Dihydropyridin-6-ylmethanamine
CID 70426662
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
2-imino-N-(2-iminopent-3-enyl)pent-3-en-1-amine
CID 123169571
N-methyl-2-methyliminopent-3-en-1-amine
CID 123205396
(Z)-2-methyliminohex-3-en-1-amine
CID 123256608
(Z)-2-iminopent-3-en-1-amine
CID 123316218
1-Methyl-2,6-dihydropyridin-3-imine
CID 123316768
1-(Pent-3-en-2-ylideneamino)ethanamine
CID 123330038

Frequently Asked Questions

What is the IUPAC name of 2-imino-N-methylpent-3-en-1-amine?
The IUPAC name of 2-imino-N-methylpent-3-en-1-amine (CID 123939168) is 2-imino-N-methylpent-3-en-1-amine.
What is the SMILES notation for 2-imino-N-methylpent-3-en-1-amine?
The canonical SMILES for 2-imino-N-methylpent-3-en-1-amine is [H]/N=C(\C=CC)CNC.
What is the InChIKey of 2-imino-N-methylpent-3-en-1-amine?
The InChIKey is RVBKIJGOZGAWBM-HWNSXMLTSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-4-6(7)5-8-2/h3-4,7-8H,5H2,1-2H3/b4-3?,7-6+.
What are the key properties of 2-imino-N-methylpent-3-en-1-amine?
2-imino-N-methylpent-3-en-1-amine has a molecular weight of 112.18 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-methylpent-3-en-1-amine is sourced from PubChem (CID 123939168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).