N-[(E)-[(9E)-undeca-1,9-dien-6-ylidene]amino]methanamine

C12H22N2 — CID 59933177

IUPACN-[(E)-[(9E)-undeca-1,9-dien-6-ylidene]amino]methanamine
SMILESC=CCCC/C(CC/C=C/C)=N\NC
InChIInChI=1S/C12H22N2/c1-4-6-8-10-12(14-13-3)11-9-7-5-2/h4-5,7,13H,1,6,8-11H2,2-3H3/b7-5+,14-12+
InChIKeyLTRMDMMBXOZOIF-BGUVSGJASA-N
MW194.32 g/mol
LogP3.27
Rot. Bonds8

About N-[(E)-[(9E)-undeca-1,9-dien-6-ylidene]amino]methanamine

N-[(E)-[(9E)-undeca-1,9-dien-6-ylidene]amino]methanamine (PubChem CID 59933177) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[(E)-[(9E)-undeca-1,9-dien-6-ylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(E)-[(9E)-undeca-1,9-dien-6-ylidene]amino]methanamine
PubChem CID59933177
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[(E)-[(9E)-undeca-1,9-dien-6-ylidene]amino]methanamine
SMILESC=CCCC/C(CC/C=C/C)=N\NC
InChIInChI=1S/C12H22N2/c1-4-6-8-10-12(14-13-3)11-9-7-5-2/h4-5,7,13H,1,6,8-11H2,2-3H3/b7-5+,14-12+
InChIKeyLTRMDMMBXOZOIF-BGUVSGJASA-N
XLogP3.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(E)-[(9E)-undeca-1,9-dien-6-ylidene]amino]methanamine?
The IUPAC name of N-[(E)-[(9E)-undeca-1,9-dien-6-ylidene]amino]methanamine (CID 59933177) is N-[(E)-[(9E)-undeca-1,9-dien-6-ylidene]amino]methanamine.
What is the SMILES notation for N-[(E)-[(9E)-undeca-1,9-dien-6-ylidene]amino]methanamine?
The canonical SMILES for N-[(E)-[(9E)-undeca-1,9-dien-6-ylidene]amino]methanamine is C=CCCC/C(CC/C=C/C)=N\NC.
What is the InChIKey of N-[(E)-[(9E)-undeca-1,9-dien-6-ylidene]amino]methanamine?
The InChIKey is LTRMDMMBXOZOIF-BGUVSGJASA-N. The full InChI is InChI=1S/C12H22N2/c1-4-6-8-10-12(14-13-3)11-9-7-5-2/h4-5,7,13H,1,6,8-11H2,2-3H3/b7-5+,14-12+.
What are the key properties of N-[(E)-[(9E)-undeca-1,9-dien-6-ylidene]amino]methanamine?
N-[(E)-[(9E)-undeca-1,9-dien-6-ylidene]amino]methanamine has a molecular weight of 194.32 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(9E)-undeca-1,9-dien-6-ylidene]amino]methanamine is sourced from PubChem (CID 59933177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).