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

C8H16N2 — CID 11137253

IUPACN-[(E)-[(E)-hex-2-enylidene]amino]-N-methylmethanamine
SMILESCCC/C=C/C=N/N(C)C
InChIInChI=1S/C8H16N2/c1-4-5-6-7-8-9-10(2)3/h6-8H,4-5H2,1-3H3/b7-6+,9-8+
InChIKeyKSIQSTNLRCGAPJ-BLHCBFLLSA-N
MW140.23 g/mol
LogP1.89
Rot. Bonds4

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

N-[(E)-[(E)-hex-2-enylidene]amino]-N-methylmethanamine (PubChem CID 11137253) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-[(E)-[(E)-hex-2-enylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[(E)-hex-2-enylidene]amino]-N-methylmethanamine
PubChem CID11137253
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-[(E)-[(E)-hex-2-enylidene]amino]-N-methylmethanamine
SMILESCCC/C=C/C=N/N(C)C
InChIInChI=1S/C8H16N2/c1-4-5-6-7-8-9-10(2)3/h6-8H,4-5H2,1-3H3/b7-6+,9-8+
InChIKeyKSIQSTNLRCGAPJ-BLHCBFLLSA-N
XLogP1.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
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-[(E)-[(E)-hex-2-enylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[(E)-hex-2-enylidene]amino]-N-methylmethanamine (CID 11137253) is N-[(E)-[(E)-hex-2-enylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[(E)-hex-2-enylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[(E)-hex-2-enylidene]amino]-N-methylmethanamine is CCC/C=C/C=N/N(C)C.
What is the InChIKey of N-[(E)-[(E)-hex-2-enylidene]amino]-N-methylmethanamine?
The InChIKey is KSIQSTNLRCGAPJ-BLHCBFLLSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-5-6-7-8-9-10(2)3/h6-8H,4-5H2,1-3H3/b7-6+,9-8+.
What are the key properties of N-[(E)-[(E)-hex-2-enylidene]amino]-N-methylmethanamine?
N-[(E)-[(E)-hex-2-enylidene]amino]-N-methylmethanamine has a molecular weight of 140.23 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-hex-2-enylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 11137253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).