N-[(E)-[(E)-hept-2-enylidene]amino]-N-methylmethanamine

C9H18N2 — CID 15563503

IUPACN-[(E)-[(E)-hept-2-enylidene]amino]-N-methylmethanamine
SMILESCCCC/C=C/C=N/N(C)C
InChIInChI=1S/C9H18N2/c1-4-5-6-7-8-9-10-11(2)3/h7-9H,4-6H2,1-3H3/b8-7+,10-9+
InChIKeyZRYAQULNWSRPBS-XBLVEGMJSA-N
MW154.26 g/mol
LogP2.28
Rot. Bonds5

About N-[(E)-[(E)-hept-2-enylidene]amino]-N-methylmethanamine

N-[(E)-[(E)-hept-2-enylidene]amino]-N-methylmethanamine (PubChem CID 15563503) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-[(E)-[(E)-hept-2-enylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[(E)-hept-2-enylidene]amino]-N-methylmethanamine
PubChem CID15563503
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-[(E)-[(E)-hept-2-enylidene]amino]-N-methylmethanamine
SMILESCCCC/C=C/C=N/N(C)C
InChIInChI=1S/C9H18N2/c1-4-5-6-7-8-9-10-11(2)3/h7-9H,4-6H2,1-3H3/b8-7+,10-9+
InChIKeyZRYAQULNWSRPBS-XBLVEGMJSA-N
XLogP2.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-hept-2-enylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[(E)-hept-2-enylidene]amino]-N-methylmethanamine (CID 15563503) is N-[(E)-[(E)-hept-2-enylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[(E)-hept-2-enylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[(E)-hept-2-enylidene]amino]-N-methylmethanamine is CCCC/C=C/C=N/N(C)C.
What is the InChIKey of N-[(E)-[(E)-hept-2-enylidene]amino]-N-methylmethanamine?
The InChIKey is ZRYAQULNWSRPBS-XBLVEGMJSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-5-6-7-8-9-10-11(2)3/h7-9H,4-6H2,1-3H3/b8-7+,10-9+.
What are the key properties of N-[(E)-[(E)-hept-2-enylidene]amino]-N-methylmethanamine?
N-[(E)-[(E)-hept-2-enylidene]amino]-N-methylmethanamine has a molecular weight of 154.26 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-hept-2-enylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 15563503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).