N-ethenyl-3-(4-methylphenyl)-N-[(Z)-prop-1-enyl]propan-1-amine;(E)-N,4,5,5-tetramethylhex-3-en-2-imine

C25H40N2 — CID 143052771

IUPACN-ethenyl-3-(4-methylphenyl)-N-[(Z)-prop-1-enyl]propan-1-amine;(E)-N,4,5,5-tetramethylhex-3-en-2-imine
SMILESC/N=C(C)/C=C(\C)C(C)(C)C.C=CN(/C=C\C)CCCc1ccc(C)cc1
InChIInChI=1S/C15H21N.C10H19N/c1-4-12-16(5-2)13-6-7-15-10-8-14(3)9-11-15;1-8(10(3,4)5)7-9(2)11-6/h4-5,8-12H,2,6-7,13H2,1,3H3;7H,1-6H3/b12-4-;8-7+,11-9+
InChIKeyVTJNUBPVTRNIBR-MHANRSKLSA-N
MW368.61 g/mol
LogP6.98
Rot. Bonds7

About N-ethenyl-3-(4-methylphenyl)-N-[(Z)-prop-1-enyl]propan-1-amine;(E)-N,4,5,5-tetramethylhex-3-en-2-imine

N-ethenyl-3-(4-methylphenyl)-N-[(Z)-prop-1-enyl]propan-1-amine;(E)-N,4,5,5-tetramethylhex-3-en-2-imine (PubChem CID 143052771) has the molecular formula C25H40N2 and a molecular weight of 368.61 g/mol. Its IUPAC name is N-ethenyl-3-(4-methylphenyl)-N-[(Z)-prop-1-enyl]propan-1-amine;(E)-N,4,5,5-tetramethylhex-3-en-2-imine.

Molecular Properties

Compound NameN-ethenyl-3-(4-methylphenyl)-N-[(Z)-prop-1-enyl]propan-1-amine;(E)-N,4,5,5-tetramethylhex-3-en-2-imine
PubChem CID143052771
Molecular FormulaC25H40N2
Molecular Weight368.61 g/mol
Exact Mass368.32
IUPAC NameN-ethenyl-3-(4-methylphenyl)-N-[(Z)-prop-1-enyl]propan-1-amine;(E)-N,4,5,5-tetramethylhex-3-en-2-imine
SMILESC/N=C(C)/C=C(\C)C(C)(C)C.C=CN(/C=C\C)CCCc1ccc(C)cc1
InChIInChI=1S/C15H21N.C10H19N/c1-4-12-16(5-2)13-6-7-15-10-8-14(3)9-11-15;1-8(10(3,4)5)7-9(2)11-6/h4-5,8-12H,2,6-7,13H2,1,3H3;7H,1-6H3/b12-4-;8-7+,11-9+
InChIKeyVTJNUBPVTRNIBR-MHANRSKLSA-N
XLogP6.98
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-(4-methylphenyl)-N-[(Z)-prop-1-enyl]propan-1-amine;(E)-N,4,5,5-tetramethylhex-3-en-2-imine?
The IUPAC name of N-ethenyl-3-(4-methylphenyl)-N-[(Z)-prop-1-enyl]propan-1-amine;(E)-N,4,5,5-tetramethylhex-3-en-2-imine (CID 143052771) is N-ethenyl-3-(4-methylphenyl)-N-[(Z)-prop-1-enyl]propan-1-amine;(E)-N,4,5,5-tetramethylhex-3-en-2-imine.
What is the SMILES notation for N-ethenyl-3-(4-methylphenyl)-N-[(Z)-prop-1-enyl]propan-1-amine;(E)-N,4,5,5-tetramethylhex-3-en-2-imine?
The canonical SMILES for N-ethenyl-3-(4-methylphenyl)-N-[(Z)-prop-1-enyl]propan-1-amine;(E)-N,4,5,5-tetramethylhex-3-en-2-imine is C/N=C(C)/C=C(\C)C(C)(C)C.C=CN(/C=C\C)CCCc1ccc(C)cc1.
What is the InChIKey of N-ethenyl-3-(4-methylphenyl)-N-[(Z)-prop-1-enyl]propan-1-amine;(E)-N,4,5,5-tetramethylhex-3-en-2-imine?
The InChIKey is VTJNUBPVTRNIBR-MHANRSKLSA-N. The full InChI is InChI=1S/C15H21N.C10H19N/c1-4-12-16(5-2)13-6-7-15-10-8-14(3)9-11-15;1-8(10(3,4)5)7-9(2)11-6/h4-5,8-12H,2,6-7,13H2,1,3H3;7H,1-6H3/b12-4-;8-7+,11-9+.
What are the key properties of N-ethenyl-3-(4-methylphenyl)-N-[(Z)-prop-1-enyl]propan-1-amine;(E)-N,4,5,5-tetramethylhex-3-en-2-imine?
N-ethenyl-3-(4-methylphenyl)-N-[(Z)-prop-1-enyl]propan-1-amine;(E)-N,4,5,5-tetramethylhex-3-en-2-imine has a molecular weight of 368.61 g/mol, XLogP of 6.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-(4-methylphenyl)-N-[(Z)-prop-1-enyl]propan-1-amine;(E)-N,4,5,5-tetramethylhex-3-en-2-imine is sourced from PubChem (CID 143052771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).