N-methyl-N-[(5-methyl-2-prop-1-en-2-ylhex-4-enylidene)amino]methanamine

C12H22N2 — CID 73102555

IUPACN-methyl-N-[(5-methyl-2-prop-1-en-2-ylhex-4-enylidene)amino]methanamine
SMILESC=C(C)C(C=NN(C)C)CC=C(C)C
InChIInChI=1S/C12H22N2/c1-10(2)7-8-12(11(3)4)9-13-14(5)6/h7,9,12H,3,8H2,1-2,4-6H3
InChIKeySUSXFEASBMAFIC-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.08
Rot. Bonds5

About N-methyl-N-[(5-methyl-2-prop-1-en-2-ylhex-4-enylidene)amino]methanamine

N-methyl-N-[(5-methyl-2-prop-1-en-2-ylhex-4-enylidene)amino]methanamine (PubChem CID 73102555) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-2-prop-1-en-2-ylhex-4-enylidene)amino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-2-prop-1-en-2-ylhex-4-enylidene)amino]methanamine
PubChem CID73102555
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-methyl-N-[(5-methyl-2-prop-1-en-2-ylhex-4-enylidene)amino]methanamine
SMILESC=C(C)C(C=NN(C)C)CC=C(C)C
InChIInChI=1S/C12H22N2/c1-10(2)7-8-12(11(3)4)9-13-14(5)6/h7,9,12H,3,8H2,1-2,4-6H3
InChIKeySUSXFEASBMAFIC-UHFFFAOYSA-N
XLogP3.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.08
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-[(5-methyl-2-prop-1-en-2-ylhex-4-enylidene)amino]methanamine?
The IUPAC name of N-methyl-N-[(5-methyl-2-prop-1-en-2-ylhex-4-enylidene)amino]methanamine (CID 73102555) is N-methyl-N-[(5-methyl-2-prop-1-en-2-ylhex-4-enylidene)amino]methanamine.
What is the SMILES notation for N-methyl-N-[(5-methyl-2-prop-1-en-2-ylhex-4-enylidene)amino]methanamine?
The canonical SMILES for N-methyl-N-[(5-methyl-2-prop-1-en-2-ylhex-4-enylidene)amino]methanamine is C=C(C)C(C=NN(C)C)CC=C(C)C.
What is the InChIKey of N-methyl-N-[(5-methyl-2-prop-1-en-2-ylhex-4-enylidene)amino]methanamine?
The InChIKey is SUSXFEASBMAFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(2)7-8-12(11(3)4)9-13-14(5)6/h7,9,12H,3,8H2,1-2,4-6H3.
What are the key properties of N-methyl-N-[(5-methyl-2-prop-1-en-2-ylhex-4-enylidene)amino]methanamine?
N-methyl-N-[(5-methyl-2-prop-1-en-2-ylhex-4-enylidene)amino]methanamine has a molecular weight of 194.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-2-prop-1-en-2-ylhex-4-enylidene)amino]methanamine is sourced from PubChem (CID 73102555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).