N'-but-3-en-2-yl-N'-methylmethanediamine

C6H14N2 — CID 174577366

IUPACN'-but-3-en-2-yl-N'-methylmethanediamine
SMILESC=CC(C)N(C)CN
InChIInChI=1S/C6H14N2/c1-4-6(2)8(3)5-7/h4,6H,1,5,7H2,2-3H3
InChIKeyQQWBMZCOIFQWHP-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.41
Rot. Bonds3

About N'-but-3-en-2-yl-N'-methylmethanediamine

N'-but-3-en-2-yl-N'-methylmethanediamine (PubChem CID 174577366) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is N'-but-3-en-2-yl-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-but-3-en-2-yl-N'-methylmethanediamine
PubChem CID174577366
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC NameN'-but-3-en-2-yl-N'-methylmethanediamine
SMILESC=CC(C)N(C)CN
InChIInChI=1S/C6H14N2/c1-4-6(2)8(3)5-7/h4,6H,1,5,7H2,2-3H3
InChIKeyQQWBMZCOIFQWHP-UHFFFAOYSA-N
XLogP0.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylbut-3-en-2-amine
CID 13459667
N'-[(Z)-5,8-dimethyldec-3-en-2-yl]-N'-methylmethanediamine
CID 138495118
(2S)-N,N-di(propan-2-yl)but-3-en-2-amine
CID 163439575
N-propan-2-yl-N-prop-2-enylpropan-2-amine
CID 558736
N'-methyl-N'-pentan-3-ylmethanediamine
CID 58780835
2-methylpropane;prop-2-en-1-amine
CID 161130166
N-but-3-en-2-yl-N-methylbut-2-en-2-amine
CID 90727153
3-[but-3-en-2-yl(propan-2-yl)amino]propan-1-ol
CID 62383077
(2S)-but-3-en-2-amine
CID 10034575
methanamine;3-methylbut-1-ene
CID 161011072
N-but-3-en-2-yl-N-ethylformamide
CID 19012660
2-[2-[but-3-en-2-yl(methyl)amino]ethyl]benzoic acid
CID 104548719

Frequently Asked Questions

What is the IUPAC name of N'-but-3-en-2-yl-N'-methylmethanediamine?
The IUPAC name of N'-but-3-en-2-yl-N'-methylmethanediamine (CID 174577366) is N'-but-3-en-2-yl-N'-methylmethanediamine.
What is the SMILES notation for N'-but-3-en-2-yl-N'-methylmethanediamine?
The canonical SMILES for N'-but-3-en-2-yl-N'-methylmethanediamine is C=CC(C)N(C)CN.
What is the InChIKey of N'-but-3-en-2-yl-N'-methylmethanediamine?
The InChIKey is QQWBMZCOIFQWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-4-6(2)8(3)5-7/h4,6H,1,5,7H2,2-3H3.
What are the key properties of N'-but-3-en-2-yl-N'-methylmethanediamine?
N'-but-3-en-2-yl-N'-methylmethanediamine has a molecular weight of 114.19 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-3-en-2-yl-N'-methylmethanediamine is sourced from PubChem (CID 174577366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).