N-[(Z)-[(7E)-2-methyl-7-propylidenecyclohepta-2,4-dien-1-ylidene]amino]methanamine

C12H18N2 — CID 130391047

IUPACN-[(Z)-[(7E)-2-methyl-7-propylidenecyclohepta-2,4-dien-1-ylidene]amino]methanamine
SMILESCC/C=C1\CC=CC=C(C)\C1=N\NC
InChIInChI=1S/C12H18N2/c1-4-7-11-9-6-5-8-10(2)12(11)14-13-3/h5-8,13H,4,9H2,1-3H3/b11-7+,14-12-
InChIKeyPTRWIPQPTMONGF-HYIMWACQSA-N
MW190.29 g/mol
LogP2.80
Rot. Bonds2

About N-[(Z)-[(7E)-2-methyl-7-propylidenecyclohepta-2,4-dien-1-ylidene]amino]methanamine

N-[(Z)-[(7E)-2-methyl-7-propylidenecyclohepta-2,4-dien-1-ylidene]amino]methanamine (PubChem CID 130391047) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-[(Z)-[(7E)-2-methyl-7-propylidenecyclohepta-2,4-dien-1-ylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(Z)-[(7E)-2-methyl-7-propylidenecyclohepta-2,4-dien-1-ylidene]amino]methanamine
PubChem CID130391047
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-[(Z)-[(7E)-2-methyl-7-propylidenecyclohepta-2,4-dien-1-ylidene]amino]methanamine
SMILESCC/C=C1\CC=CC=C(C)\C1=N\NC
InChIInChI=1S/C12H18N2/c1-4-7-11-9-6-5-8-10(2)12(11)14-13-3/h5-8,13H,4,9H2,1-3H3/b11-7+,14-12-
InChIKeyPTRWIPQPTMONGF-HYIMWACQSA-N
XLogP2.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(7E)-2-methyl-7-propylidenecyclohepta-2,4-dien-1-ylidene]amino]methanamine?
The IUPAC name of N-[(Z)-[(7E)-2-methyl-7-propylidenecyclohepta-2,4-dien-1-ylidene]amino]methanamine (CID 130391047) is N-[(Z)-[(7E)-2-methyl-7-propylidenecyclohepta-2,4-dien-1-ylidene]amino]methanamine.
What is the SMILES notation for N-[(Z)-[(7E)-2-methyl-7-propylidenecyclohepta-2,4-dien-1-ylidene]amino]methanamine?
The canonical SMILES for N-[(Z)-[(7E)-2-methyl-7-propylidenecyclohepta-2,4-dien-1-ylidene]amino]methanamine is CC/C=C1\CC=CC=C(C)\C1=N\NC.
What is the InChIKey of N-[(Z)-[(7E)-2-methyl-7-propylidenecyclohepta-2,4-dien-1-ylidene]amino]methanamine?
The InChIKey is PTRWIPQPTMONGF-HYIMWACQSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-7-11-9-6-5-8-10(2)12(11)14-13-3/h5-8,13H,4,9H2,1-3H3/b11-7+,14-12-.
What are the key properties of N-[(Z)-[(7E)-2-methyl-7-propylidenecyclohepta-2,4-dien-1-ylidene]amino]methanamine?
N-[(Z)-[(7E)-2-methyl-7-propylidenecyclohepta-2,4-dien-1-ylidene]amino]methanamine has a molecular weight of 190.29 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(7E)-2-methyl-7-propylidenecyclohepta-2,4-dien-1-ylidene]amino]methanamine is sourced from PubChem (CID 130391047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).