1-N'-but-3-en-2-yl-1-N,1-N'-dimethylethane-1,1-diamine

C8H18N2 — CID 156543184

IUPAC1-N'-but-3-en-2-yl-1-N,1-N'-dimethylethane-1,1-diamine
SMILESC=CC(C)N(C)C(C)NC
InChIInChI=1S/C8H18N2/c1-6-7(2)10(5)8(3)9-4/h6-9H,1H2,2-5H3
InChIKeyVBRQMXMLNUDLKQ-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.06
Rot. Bonds4

About 1-N'-but-3-en-2-yl-1-N,1-N'-dimethylethane-1,1-diamine

1-N'-but-3-en-2-yl-1-N,1-N'-dimethylethane-1,1-diamine (PubChem CID 156543184) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-N'-but-3-en-2-yl-1-N,1-N'-dimethylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-but-3-en-2-yl-1-N,1-N'-dimethylethane-1,1-diamine
PubChem CID156543184
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-N'-but-3-en-2-yl-1-N,1-N'-dimethylethane-1,1-diamine
SMILESC=CC(C)N(C)C(C)NC
InChIInChI=1S/C8H18N2/c1-6-7(2)10(5)8(3)9-4/h6-9H,1H2,2-5H3
InChIKeyVBRQMXMLNUDLKQ-UHFFFAOYSA-N
XLogP1.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.06
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

1-N',1-N'-dimethyl-1-N-prop-2-enylpropane-1,1-diamine
CID 20217139
N-Allyl-N',N'-Diethylethanediamine
CID 20225322
1-N',1-N'-bis(prop-2-enyl)ethane-1,1-diamine
CID 20565246
1-N,1-N'-bis(prop-2-enyl)ethane-1,1-diamine
CID 23213359
1-N-cycloprop-2-en-1-yl-1-N',1-N',1-N",1-N"-tetraethylbutane-1,1,1-triamine
CID 71092215
Trimethyl-[1-(prop-2-enylamino)propyl]azanium
CID 87146309
1-N-prop-2-enyl-1-N'-[1-(prop-2-enylamino)prop-2-enyl]prop-2-ene-1,1-diamine
CID 87570772
1-N-[1-(dimethylamino)prop-2-enyl]-1-N',1-N'-dimethylprop-2-ene-1,1-diamine
CID 87691306
1-N,1-N'-bis(prop-2-enyl)propane-1,1-diamine
CID 87708331
1-N,1-N'-bis(prop-2-enyl)prop-2-ene-1,1-diamine
CID 87865699
1-Aminoprop-2-enyl-methyl-bis(prop-2-enyl)azanium
CID 88010753
N'-methyl-N-prop-2-enyl-N'-propylmethanediamine
CID 88110656

Frequently Asked Questions

What is the IUPAC name of 1-N'-but-3-en-2-yl-1-N,1-N'-dimethylethane-1,1-diamine?
The IUPAC name of 1-N'-but-3-en-2-yl-1-N,1-N'-dimethylethane-1,1-diamine (CID 156543184) is 1-N'-but-3-en-2-yl-1-N,1-N'-dimethylethane-1,1-diamine.
What is the SMILES notation for 1-N'-but-3-en-2-yl-1-N,1-N'-dimethylethane-1,1-diamine?
The canonical SMILES for 1-N'-but-3-en-2-yl-1-N,1-N'-dimethylethane-1,1-diamine is C=CC(C)N(C)C(C)NC.
What is the InChIKey of 1-N'-but-3-en-2-yl-1-N,1-N'-dimethylethane-1,1-diamine?
The InChIKey is VBRQMXMLNUDLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-6-7(2)10(5)8(3)9-4/h6-9H,1H2,2-5H3.
What are the key properties of 1-N'-but-3-en-2-yl-1-N,1-N'-dimethylethane-1,1-diamine?
1-N'-but-3-en-2-yl-1-N,1-N'-dimethylethane-1,1-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-but-3-en-2-yl-1-N,1-N'-dimethylethane-1,1-diamine is sourced from PubChem (CID 156543184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).