3-imino-N-methyl-2-methylidenebutan-1-amine

C6H12N2 — CID 123946454

IUPAC3-imino-N-methyl-2-methylidenebutan-1-amine
SMILES[H]/N=C(\C)C(=C)CNC
InChIInChI=1S/C6H12N2/c1-5(4-8-3)6(2)7/h7-8H,1,4H2,2-3H3/b7-6+
InChIKeyOBKRYERLOBFOMN-VOTSOKGWSA-N
MW112.18 g/mol
LogP0.80
Rot. Bonds3

About 3-imino-N-methyl-2-methylidenebutan-1-amine

3-imino-N-methyl-2-methylidenebutan-1-amine (PubChem CID 123946454) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 3-imino-N-methyl-2-methylidenebutan-1-amine.

Molecular Properties

Compound Name3-imino-N-methyl-2-methylidenebutan-1-amine
PubChem CID123946454
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name3-imino-N-methyl-2-methylidenebutan-1-amine
SMILES[H]/N=C(\C)C(=C)CNC
InChIInChI=1S/C6H12N2/c1-5(4-8-3)6(2)7/h7-8H,1,4H2,2-3H3/b7-6+
InChIKeyOBKRYERLOBFOMN-VOTSOKGWSA-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

5-Methyl-6-methylidene-1,2,3,7-tetrahydro-1,4-diazepine
CID 58984556
4-methyl-5-methylidene-2,6-dihydro-1H-pyrimidine
CID 123736017
ethane;2-imino-N,N,3-trimethylbut-3-en-1-amine
CID 164927114
2-imino-N,N,3-trimethylbut-3-en-1-amine
CID 164927115
2-Methylidene-3-methyliminobutan-1-amine
CID 167063600
2-imino-N,N,3-trimethylbut-3-en-1-amine;methane
CID 167458585
2-Imino-3-methylbut-3-en-1-amine
CID 173470873
2-(N-ethyl-C-methylcarbonimidoyl)-N'-methylprop-1-ene-1,3-diamine
CID 173888693
4-Methylidenepyrrolidin-3-imine
CID 173910437
2-(N-ethyl-C-methylcarbonimidoyl)prop-1-ene-1,3-diamine
CID 173981551
N-methyl-4-methylidenepyrrolidin-3-imine
CID 145048033
(Z)-2-(C,N-dimethylcarbonimidoyl)-N'-methylprop-1-ene-1,3-diamine
CID 148562153

Frequently Asked Questions

What is the IUPAC name of 3-imino-N-methyl-2-methylidenebutan-1-amine?
The IUPAC name of 3-imino-N-methyl-2-methylidenebutan-1-amine (CID 123946454) is 3-imino-N-methyl-2-methylidenebutan-1-amine.
What is the SMILES notation for 3-imino-N-methyl-2-methylidenebutan-1-amine?
The canonical SMILES for 3-imino-N-methyl-2-methylidenebutan-1-amine is [H]/N=C(\C)C(=C)CNC.
What is the InChIKey of 3-imino-N-methyl-2-methylidenebutan-1-amine?
The InChIKey is OBKRYERLOBFOMN-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H12N2/c1-5(4-8-3)6(2)7/h7-8H,1,4H2,2-3H3/b7-6+.
What are the key properties of 3-imino-N-methyl-2-methylidenebutan-1-amine?
3-imino-N-methyl-2-methylidenebutan-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 3-imino-N-methyl-2-methylidenebutan-1-amine is sourced from PubChem (CID 123946454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).