2-imino-N,N-dimethylpent-3-en-1-amine

C7H14N2 — CID 123865844

IUPAC2-imino-N,N-dimethylpent-3-en-1-amine
SMILES[H]/N=C(\C=CC)CN(C)C
InChIInChI=1S/C7H14N2/c1-4-5-7(8)6-9(2)3/h4-5,8H,6H2,1-3H3/b5-4?,8-7+
InChIKeyZRPREUXTSSBRJA-HEFSFIJHSA-N
MW126.20 g/mol
LogP1.14
Rot. Bonds3

About 2-imino-N,N-dimethylpent-3-en-1-amine

2-imino-N,N-dimethylpent-3-en-1-amine (PubChem CID 123865844) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-imino-N,N-dimethylpent-3-en-1-amine.

Molecular Properties

Compound Name2-imino-N,N-dimethylpent-3-en-1-amine
PubChem CID123865844
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-imino-N,N-dimethylpent-3-en-1-amine
SMILES[H]/N=C(\C=CC)CN(C)C
InChIInChI=1S/C7H14N2/c1-4-5-7(8)6-9(2)3/h4-5,8H,6H2,1-3H3/b5-4?,8-7+
InChIKeyZRPREUXTSSBRJA-HEFSFIJHSA-N
XLogP1.14
TPSA27.09 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 ≤ 51.14
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

N,N-Diethyl-4-iminocyclohexa-2,5-dien-1-iminium
CID 15597190
4-Imino-N,N-dimethylcyclohexa-2,5-dien-1-iminium
CID 54531807
N-methyl-1-(2H-pyrrol-5-yl)methanamine
CID 58270092
N,N-dimethyl-1-(2H-pyrrol-5-yl)methanamine
CID 58270096
(Z)-pent-2-ene-1,4-diimine
CID 59089718
4-imino-N,N-dimethylcyclohexa-2,5-dien-1-amine
CID 59831278
(Z)-4-N-methylpent-2-ene-1,4-diimine
CID 90308470
(Z)-2-iminohept-3-en-1-amine
CID 91316058
Ethyl-(4-iminocyclohexa-2,5-dien-1-ylidene)-methylazanium
CID 91473359
(Z)-1-N-methylpent-2-ene-1,4-diimine
CID 118133026
(Z)-4-imino-N,N-dimethylpent-2-en-2-amine
CID 121330310
2-imino-N-(2-iminopent-3-enyl)pent-3-en-1-amine
CID 123169571

Frequently Asked Questions

What is the IUPAC name of 2-imino-N,N-dimethylpent-3-en-1-amine?
The IUPAC name of 2-imino-N,N-dimethylpent-3-en-1-amine (CID 123865844) is 2-imino-N,N-dimethylpent-3-en-1-amine.
What is the SMILES notation for 2-imino-N,N-dimethylpent-3-en-1-amine?
The canonical SMILES for 2-imino-N,N-dimethylpent-3-en-1-amine is [H]/N=C(\C=CC)CN(C)C.
What is the InChIKey of 2-imino-N,N-dimethylpent-3-en-1-amine?
The InChIKey is ZRPREUXTSSBRJA-HEFSFIJHSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-5-7(8)6-9(2)3/h4-5,8H,6H2,1-3H3/b5-4?,8-7+.
What are the key properties of 2-imino-N,N-dimethylpent-3-en-1-amine?
2-imino-N,N-dimethylpent-3-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N,N-dimethylpent-3-en-1-amine is sourced from PubChem (CID 123865844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).