N-but-3-enyl-3-ethenylimino-4-methyliminopent-1-en-2-amine

C12H19N3 — CID 143345832

IUPACN-but-3-enyl-3-ethenylimino-4-methyliminopent-1-en-2-amine
SMILESC=CCCNC(=C)C(=N/C=C)/C(C)=N/C
InChIInChI=1S/C12H19N3/c1-6-8-9-15-11(4)12(14-7-2)10(3)13-5/h6-7,15H,1-2,4,8-9H2,3,5H3/b13-10+,14-12+
InChIKeyIGIJWXCONNHVFG-ADWQEOMMSA-N
MW205.30 g/mol
LogP2.34
Rot. Bonds7

About N-but-3-enyl-3-ethenylimino-4-methyliminopent-1-en-2-amine

N-but-3-enyl-3-ethenylimino-4-methyliminopent-1-en-2-amine (PubChem CID 143345832) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-but-3-enyl-3-ethenylimino-4-methyliminopent-1-en-2-amine.

Molecular Properties

Compound NameN-but-3-enyl-3-ethenylimino-4-methyliminopent-1-en-2-amine
PubChem CID143345832
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-but-3-enyl-3-ethenylimino-4-methyliminopent-1-en-2-amine
SMILESC=CCCNC(=C)C(=N/C=C)/C(C)=N/C
InChIInChI=1S/C12H19N3/c1-6-8-9-15-11(4)12(14-7-2)10(3)13-5/h6-7,15H,1-2,4,8-9H2,3,5H3/b13-10+,14-12+
InChIKeyIGIJWXCONNHVFG-ADWQEOMMSA-N
XLogP2.34
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine
CID 54075907
N-methyl-1-(3H-pyrrol-2-yl)methanamine
CID 58168955
(Z)-1-(pent-1-en-3-ylideneamino)prop-1-en-2-amine
CID 88987029
2-ethenylimino-N-propan-2-ylbut-3-en-1-amine
CID 89129347
N'-(3-ethyliminopent-1-en-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 117852688
3-ethylimino-N-methylpent-1-en-2-amine
CID 117852698
N-methyl-2-[(E)-3-(methylamino)prop-1-enyl]iminobut-3-en-1-amine
CID 122522672
N-methyl-2-[(Z)-pent-1-enyl]iminopropan-1-amine
CID 126762207
(E)-1-(pent-1-en-3-ylideneamino)-2-N-propan-2-ylprop-1-ene-1,2-diamine
CID 129204126
N-(3H-pyrrol-2-ylmethyl)but-3-en-1-amine
CID 130382602
3-(2-methylprop-1-enylimino)-N-(2-methylpropyl)pent-4-en-2-amine
CID 131971008
(Z)-4-ethenylimino-N-methylhex-2-en-2-amine
CID 132019503

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-3-ethenylimino-4-methyliminopent-1-en-2-amine?
The IUPAC name of N-but-3-enyl-3-ethenylimino-4-methyliminopent-1-en-2-amine (CID 143345832) is N-but-3-enyl-3-ethenylimino-4-methyliminopent-1-en-2-amine.
What is the SMILES notation for N-but-3-enyl-3-ethenylimino-4-methyliminopent-1-en-2-amine?
The canonical SMILES for N-but-3-enyl-3-ethenylimino-4-methyliminopent-1-en-2-amine is C=CCCNC(=C)C(=N/C=C)/C(C)=N/C.
What is the InChIKey of N-but-3-enyl-3-ethenylimino-4-methyliminopent-1-en-2-amine?
The InChIKey is IGIJWXCONNHVFG-ADWQEOMMSA-N. The full InChI is InChI=1S/C12H19N3/c1-6-8-9-15-11(4)12(14-7-2)10(3)13-5/h6-7,15H,1-2,4,8-9H2,3,5H3/b13-10+,14-12+.
What are the key properties of N-but-3-enyl-3-ethenylimino-4-methyliminopent-1-en-2-amine?
N-but-3-enyl-3-ethenylimino-4-methyliminopent-1-en-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-3-ethenylimino-4-methyliminopent-1-en-2-amine is sourced from PubChem (CID 143345832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).