N'-methyl-N'-[(Z)-3-methylbut-1-enyl]methanediamine

C7H16N2 — CID 89120905

IUPACN'-methyl-N'-[(Z)-3-methylbut-1-enyl]methanediamine
SMILESCC(C)/C=C\N(C)CN
InChIInChI=1S/C7H16N2/c1-7(2)4-5-9(3)6-8/h4-5,7H,6,8H2,1-3H3/b5-4-
InChIKeyCCYQCPMQWASORL-PLNGDYQASA-N
MW128.22 g/mol
LogP1.00
Rot. Bonds3

About N'-methyl-N'-[(Z)-3-methylbut-1-enyl]methanediamine

N'-methyl-N'-[(Z)-3-methylbut-1-enyl]methanediamine (PubChem CID 89120905) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N'-methyl-N'-[(Z)-3-methylbut-1-enyl]methanediamine.

Molecular Properties

Compound NameN'-methyl-N'-[(Z)-3-methylbut-1-enyl]methanediamine
PubChem CID89120905
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN'-methyl-N'-[(Z)-3-methylbut-1-enyl]methanediamine
SMILESCC(C)/C=C\N(C)CN
InChIInChI=1S/C7H16N2/c1-7(2)4-5-9(3)6-8/h4-5,7H,6,8H2,1-3H3/b5-4-
InChIKeyCCYQCPMQWASORL-PLNGDYQASA-N
XLogP1.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(Z)-3-methylbut-1-enyl]methanediamine?
The IUPAC name of N'-methyl-N'-[(Z)-3-methylbut-1-enyl]methanediamine (CID 89120905) is N'-methyl-N'-[(Z)-3-methylbut-1-enyl]methanediamine.
What is the SMILES notation for N'-methyl-N'-[(Z)-3-methylbut-1-enyl]methanediamine?
The canonical SMILES for N'-methyl-N'-[(Z)-3-methylbut-1-enyl]methanediamine is CC(C)/C=C\N(C)CN.
What is the InChIKey of N'-methyl-N'-[(Z)-3-methylbut-1-enyl]methanediamine?
The InChIKey is CCYQCPMQWASORL-PLNGDYQASA-N. The full InChI is InChI=1S/C7H16N2/c1-7(2)4-5-9(3)6-8/h4-5,7H,6,8H2,1-3H3/b5-4-.
What are the key properties of N'-methyl-N'-[(Z)-3-methylbut-1-enyl]methanediamine?
N'-methyl-N'-[(Z)-3-methylbut-1-enyl]methanediamine has a molecular weight of 128.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(Z)-3-methylbut-1-enyl]methanediamine is sourced from PubChem (CID 89120905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).