N-methyl-N-[(E)-6-methylhept-5-en-2-ylideneamino]methanamine

C10H20N2 — CID 88744891

IUPACN-methyl-N-[(E)-6-methylhept-5-en-2-ylideneamino]methanamine
SMILESCC(C)=CCC/C(C)=N/N(C)C
InChIInChI=1S/C10H20N2/c1-9(2)7-6-8-10(3)11-12(4)5/h7H,6,8H2,1-5H3/b11-10+
InChIKeyZNIIQTSIFWAJFS-ZHACJKMWSA-N
MW168.28 g/mol
LogP2.67
Rot. Bonds4

About N-methyl-N-[(E)-6-methylhept-5-en-2-ylideneamino]methanamine

N-methyl-N-[(E)-6-methylhept-5-en-2-ylideneamino]methanamine (PubChem CID 88744891) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-methyl-N-[(E)-6-methylhept-5-en-2-ylideneamino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-6-methylhept-5-en-2-ylideneamino]methanamine
PubChem CID88744891
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-methyl-N-[(E)-6-methylhept-5-en-2-ylideneamino]methanamine
SMILESCC(C)=CCC/C(C)=N/N(C)C
InChIInChI=1S/C10H20N2/c1-9(2)7-6-8-10(3)11-12(4)5/h7H,6,8H2,1-5H3/b11-10+
InChIKeyZNIIQTSIFWAJFS-ZHACJKMWSA-N
XLogP2.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-methyl-N-[(E)-6-methylhept-5-en-2-ylideneamino]methanamine?
The IUPAC name of N-methyl-N-[(E)-6-methylhept-5-en-2-ylideneamino]methanamine (CID 88744891) is N-methyl-N-[(E)-6-methylhept-5-en-2-ylideneamino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-6-methylhept-5-en-2-ylideneamino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-6-methylhept-5-en-2-ylideneamino]methanamine is CC(C)=CCC/C(C)=N/N(C)C.
What is the InChIKey of N-methyl-N-[(E)-6-methylhept-5-en-2-ylideneamino]methanamine?
The InChIKey is ZNIIQTSIFWAJFS-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(2)7-6-8-10(3)11-12(4)5/h7H,6,8H2,1-5H3/b11-10+.
What are the key properties of N-methyl-N-[(E)-6-methylhept-5-en-2-ylideneamino]methanamine?
N-methyl-N-[(E)-6-methylhept-5-en-2-ylideneamino]methanamine has a molecular weight of 168.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-6-methylhept-5-en-2-ylideneamino]methanamine is sourced from PubChem (CID 88744891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).