N-methyl-N-[(E)-2-methylidenehexylideneamino]methanamine

C9H18N2 — CID 14007205

IUPACN-methyl-N-[(E)-2-methylidenehexylideneamino]methanamine
SMILESC=C(/C=N/N(C)C)CCCC
InChIInChI=1S/C9H18N2/c1-5-6-7-9(2)8-10-11(3)4/h8H,2,5-7H2,1,3-4H3/b10-8+
InChIKeyCNUIXYWVOGEKKE-CSKARUKUSA-N
MW154.26 g/mol
LogP2.28
Rot. Bonds5

About N-methyl-N-[(E)-2-methylidenehexylideneamino]methanamine

N-methyl-N-[(E)-2-methylidenehexylideneamino]methanamine (PubChem CID 14007205) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-methyl-N-[(E)-2-methylidenehexylideneamino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-2-methylidenehexylideneamino]methanamine
PubChem CID14007205
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-methyl-N-[(E)-2-methylidenehexylideneamino]methanamine
SMILESC=C(/C=N/N(C)C)CCCC
InChIInChI=1S/C9H18N2/c1-5-6-7-9(2)8-10-11(3)4/h8H,2,5-7H2,1,3-4H3/b10-8+
InChIKeyCNUIXYWVOGEKKE-CSKARUKUSA-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': '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-methyl-N-[(E)-2-methylidenehexylideneamino]methanamine?
The IUPAC name of N-methyl-N-[(E)-2-methylidenehexylideneamino]methanamine (CID 14007205) is N-methyl-N-[(E)-2-methylidenehexylideneamino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-2-methylidenehexylideneamino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-2-methylidenehexylideneamino]methanamine is C=C(/C=N/N(C)C)CCCC.
What is the InChIKey of N-methyl-N-[(E)-2-methylidenehexylideneamino]methanamine?
The InChIKey is CNUIXYWVOGEKKE-CSKARUKUSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-6-7-9(2)8-10-11(3)4/h8H,2,5-7H2,1,3-4H3/b10-8+.
What are the key properties of N-methyl-N-[(E)-2-methylidenehexylideneamino]methanamine?
N-methyl-N-[(E)-2-methylidenehexylideneamino]methanamine 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-methyl-N-[(E)-2-methylidenehexylideneamino]methanamine is sourced from PubChem (CID 14007205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).