(E)-3-[(1Z)-buta-1,3-dienyl]imino-N,N,4-trimethylpent-1-en-1-amine

C12H20N2 — CID 170342457

IUPAC(E)-3-[(1Z)-buta-1,3-dienyl]imino-N,N,4-trimethylpent-1-en-1-amine
SMILESC=C/C=C\N=C(\C=C\N(C)C)C(C)C
InChIInChI=1S/C12H20N2/c1-6-7-9-13-12(11(2)3)8-10-14(4)5/h6-11H,1H2,2-5H3/b9-7-,10-8+,13-12-
InChIKeyOPODIRKYYGFVLM-WRSDQDOQSA-N
MW192.31 g/mol
LogP2.86
Rot. Bonds5

About (E)-3-[(1Z)-buta-1,3-dienyl]imino-N,N,4-trimethylpent-1-en-1-amine

(E)-3-[(1Z)-buta-1,3-dienyl]imino-N,N,4-trimethylpent-1-en-1-amine (PubChem CID 170342457) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (E)-3-[(1Z)-buta-1,3-dienyl]imino-N,N,4-trimethylpent-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-[(1Z)-buta-1,3-dienyl]imino-N,N,4-trimethylpent-1-en-1-amine
PubChem CID170342457
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(E)-3-[(1Z)-buta-1,3-dienyl]imino-N,N,4-trimethylpent-1-en-1-amine
SMILESC=C/C=C\N=C(\C=C\N(C)C)C(C)C
InChIInChI=1S/C12H20N2/c1-6-7-9-13-12(11(2)3)8-10-14(4)5/h6-11H,1H2,2-5H3/b9-7-,10-8+,13-12-
InChIKeyOPODIRKYYGFVLM-WRSDQDOQSA-N
XLogP2.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-trimethyl-3H-pyrrol-1-ium
CID 54246966
1,2-di(propan-2-yl)-3H-pyrrol-1-ium
CID 60102694
(Z)-2-methyl-N-[(E)-prop-1-enyl]hex-4-en-3-imine
CID 88538244
(E)-3-ethenylimino-N,N-dimethylpent-1-en-1-amine
CID 88939004
(Z)-3-methyl-2-(4-methylpent-1-en-3-ylideneamino)but-1-en-1-amine
CID 89109237
N-[(E)-4-methylpent-1-enyl]butan-2-imine
CID 90063487
1-Methyl-2-methylidene-4-propan-2-ylpyrimidine
CID 90906288
3-Propan-2-yl-1-propan-2-ylidenepyrrol-1-ium
CID 91216970
N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine
CID 123324348
(Z)-3-imino-N,N,4-trimethylhex-1-en-1-amine
CID 123972243
(3Z,7E)-N-ethenyl-5,9-dimethylundeca-1,3,7,10-tetraen-6-imine
CID 124112864
(Z)-4-methyl-3-[(Z)-prop-1-enyl]iminopent-1-en-1-amine
CID 126486920

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(1Z)-buta-1,3-dienyl]imino-N,N,4-trimethylpent-1-en-1-amine?
The IUPAC name of (E)-3-[(1Z)-buta-1,3-dienyl]imino-N,N,4-trimethylpent-1-en-1-amine (CID 170342457) is (E)-3-[(1Z)-buta-1,3-dienyl]imino-N,N,4-trimethylpent-1-en-1-amine.
What is the SMILES notation for (E)-3-[(1Z)-buta-1,3-dienyl]imino-N,N,4-trimethylpent-1-en-1-amine?
The canonical SMILES for (E)-3-[(1Z)-buta-1,3-dienyl]imino-N,N,4-trimethylpent-1-en-1-amine is C=C/C=C\N=C(\C=C\N(C)C)C(C)C.
What is the InChIKey of (E)-3-[(1Z)-buta-1,3-dienyl]imino-N,N,4-trimethylpent-1-en-1-amine?
The InChIKey is OPODIRKYYGFVLM-WRSDQDOQSA-N. The full InChI is InChI=1S/C12H20N2/c1-6-7-9-13-12(11(2)3)8-10-14(4)5/h6-11H,1H2,2-5H3/b9-7-,10-8+,13-12-.
What are the key properties of (E)-3-[(1Z)-buta-1,3-dienyl]imino-N,N,4-trimethylpent-1-en-1-amine?
(E)-3-[(1Z)-buta-1,3-dienyl]imino-N,N,4-trimethylpent-1-en-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(1Z)-buta-1,3-dienyl]imino-N,N,4-trimethylpent-1-en-1-amine is sourced from PubChem (CID 170342457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).