N,N-dimethyl-1-[[(2Z)-2-methylhexa-2,5-dienylidene]amino]methanamine

C10H18N2 — CID 123667060

IUPACN,N-dimethyl-1-[[(2Z)-2-methylhexa-2,5-dienylidene]amino]methanamine
SMILESC=CC/C=C(/C)C=NCN(C)C
InChIInChI=1S/C10H18N2/c1-5-6-7-10(2)8-11-9-12(3)4/h5,7-8H,1,6,9H2,2-4H3/b10-7-,11-8?
InChIKeyLOMCTNRUIRFOIS-DZQWHNKDSA-N
MW166.27 g/mol
LogP2.10
Rot. Bonds5

About N,N-dimethyl-1-[[(2Z)-2-methylhexa-2,5-dienylidene]amino]methanamine

N,N-dimethyl-1-[[(2Z)-2-methylhexa-2,5-dienylidene]amino]methanamine (PubChem CID 123667060) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N,N-dimethyl-1-[[(2Z)-2-methylhexa-2,5-dienylidene]amino]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[(2Z)-2-methylhexa-2,5-dienylidene]amino]methanamine
PubChem CID123667060
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN,N-dimethyl-1-[[(2Z)-2-methylhexa-2,5-dienylidene]amino]methanamine
SMILESC=CC/C=C(/C)C=NCN(C)C
InChIInChI=1S/C10H18N2/c1-5-6-7-10(2)8-11-9-12(3)4/h5,7-8H,1,6,9H2,2-4H3/b10-7-,11-8?
InChIKeyLOMCTNRUIRFOIS-DZQWHNKDSA-N
XLogP2.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.10
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'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[(2Z)-2-methylhexa-2,5-dienylidene]amino]methanamine?
The IUPAC name of N,N-dimethyl-1-[[(2Z)-2-methylhexa-2,5-dienylidene]amino]methanamine (CID 123667060) is N,N-dimethyl-1-[[(2Z)-2-methylhexa-2,5-dienylidene]amino]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[[(2Z)-2-methylhexa-2,5-dienylidene]amino]methanamine?
The canonical SMILES for N,N-dimethyl-1-[[(2Z)-2-methylhexa-2,5-dienylidene]amino]methanamine is C=CC/C=C(/C)C=NCN(C)C.
What is the InChIKey of N,N-dimethyl-1-[[(2Z)-2-methylhexa-2,5-dienylidene]amino]methanamine?
The InChIKey is LOMCTNRUIRFOIS-DZQWHNKDSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-6-7-10(2)8-11-9-12(3)4/h5,7-8H,1,6,9H2,2-4H3/b10-7-,11-8?.
What are the key properties of N,N-dimethyl-1-[[(2Z)-2-methylhexa-2,5-dienylidene]amino]methanamine?
N,N-dimethyl-1-[[(2Z)-2-methylhexa-2,5-dienylidene]amino]methanamine has a molecular weight of 166.27 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[(2Z)-2-methylhexa-2,5-dienylidene]amino]methanamine is sourced from PubChem (CID 123667060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).