1-N,2-N-dimethyl-3-methyliminopent-4-ene-1,2-diamine

C8H17N3 — CID 123196625

IUPAC1-N,2-N-dimethyl-3-methyliminopent-4-ene-1,2-diamine
SMILESC=C/C(=N\C)C(CNC)NC
InChIInChI=1S/C8H17N3/c1-5-7(10-3)8(11-4)6-9-2/h5,8-9,11H,1,6H2,2-4H3/b10-7+
InChIKeyJZKGPTMEQSKHHV-JXMROGBWSA-N
MW155.24 g/mol
LogP0.05
Rot. Bonds5

About 1-N,2-N-dimethyl-3-methyliminopent-4-ene-1,2-diamine

1-N,2-N-dimethyl-3-methyliminopent-4-ene-1,2-diamine (PubChem CID 123196625) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-N,2-N-dimethyl-3-methyliminopent-4-ene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethyl-3-methyliminopent-4-ene-1,2-diamine
PubChem CID123196625
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name1-N,2-N-dimethyl-3-methyliminopent-4-ene-1,2-diamine
SMILESC=C/C(=N\C)C(CNC)NC
InChIInChI=1S/C8H17N3/c1-5-7(10-3)8(11-4)6-9-2/h5,8-9,11H,1,6H2,2-4H3/b10-7+
InChIKeyJZKGPTMEQSKHHV-JXMROGBWSA-N
XLogP0.05
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine
CID 54075907
N-ethyl-3-methyliminooct-1-en-4-amine
CID 123344021
N-methyl-4-methyliminohex-5-en-3-amine
CID 123612125
N'-[2-(but-3-en-2-ylideneamino)ethyl]-N-methylethane-1,2-diamine
CID 134485867
N-methyl-3-[(Z)-prop-1-enyl]iminopent-4-en-1-amine
CID 143115331
3-ethenylimino-N-ethylpent-4-en-1-amine;molecular hydrogen
CID 144767469
Ethene;3-methyliminopent-4-en-1-amine
CID 144855770
(Z)-N-methyl-3-methyliminohept-4-en-1-amine
CID 178172681
3-ethenylimino-N-ethylpent-4-en-1-amine
CID 144767470

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethyl-3-methyliminopent-4-ene-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethyl-3-methyliminopent-4-ene-1,2-diamine (CID 123196625) is 1-N,2-N-dimethyl-3-methyliminopent-4-ene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethyl-3-methyliminopent-4-ene-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethyl-3-methyliminopent-4-ene-1,2-diamine is C=C/C(=N\C)C(CNC)NC.
What is the InChIKey of 1-N,2-N-dimethyl-3-methyliminopent-4-ene-1,2-diamine?
The InChIKey is JZKGPTMEQSKHHV-JXMROGBWSA-N. The full InChI is InChI=1S/C8H17N3/c1-5-7(10-3)8(11-4)6-9-2/h5,8-9,11H,1,6H2,2-4H3/b10-7+.
What are the key properties of 1-N,2-N-dimethyl-3-methyliminopent-4-ene-1,2-diamine?
1-N,2-N-dimethyl-3-methyliminopent-4-ene-1,2-diamine has a molecular weight of 155.24 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethyl-3-methyliminopent-4-ene-1,2-diamine is sourced from PubChem (CID 123196625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).