N'-but-2-enyl-N,N'-dimethylethane-1,2-diamine

C8H18N2 — CID 77016632

IUPACN'-but-2-enyl-N,N'-dimethylethane-1,2-diamine
SMILESCC=CCN(C)CCNC
InChIInChI=1S/C8H18N2/c1-4-5-7-10(3)8-6-9-2/h4-5,9H,6-8H2,1-3H3
InChIKeyUDKTXFUDWKZYSJ-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.71
Rot. Bonds5

About N'-but-2-enyl-N,N'-dimethylethane-1,2-diamine

N'-but-2-enyl-N,N'-dimethylethane-1,2-diamine (PubChem CID 77016632) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N'-but-2-enyl-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-but-2-enyl-N,N'-dimethylethane-1,2-diamine
PubChem CID77016632
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN'-but-2-enyl-N,N'-dimethylethane-1,2-diamine
SMILESCC=CCN(C)CCNC
InChIInChI=1S/C8H18N2/c1-4-5-7-10(3)8-6-9-2/h4-5,9H,6-8H2,1-3H3
InChIKeyUDKTXFUDWKZYSJ-UHFFFAOYSA-N
XLogP0.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Butene-1,4-diamine, N1,N4-diethyl-
CID 5369081
1-[2-(Diallylamino)-ethyl]-piperazine
CID 2735924
N,N'-Diisopropyl-2-butene-1,4-diamine
CID 6450909
1,6,11-Triisopropyl-di-2-butenylenetriamine
CID 6450915
prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine
CID 86717695
N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine
CID 87361427
(E)-N,N'-dipropylbut-2-ene-1,4-diamine
CID 12397196
N1,N2-Di-2-propen-1-yl-1,2-ethanediamine
CID 408155
N-Allylethylenediamine
CID 520997
Bis(methylallyl)-amin
CID 54462388
dimethyl-bis(prop-2-enyl)azanium;N-prop-2-enylprop-2-en-1-amine;chloride
CID 87858593
(E)-N,N'-bis(prop-2-enyl)but-2-ene-1,4-diamine
CID 90046157

Frequently Asked Questions

What is the IUPAC name of N'-but-2-enyl-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-but-2-enyl-N,N'-dimethylethane-1,2-diamine (CID 77016632) is N'-but-2-enyl-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-but-2-enyl-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-but-2-enyl-N,N'-dimethylethane-1,2-diamine is CC=CCN(C)CCNC.
What is the InChIKey of N'-but-2-enyl-N,N'-dimethylethane-1,2-diamine?
The InChIKey is UDKTXFUDWKZYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-5-7-10(3)8-6-9-2/h4-5,9H,6-8H2,1-3H3.
What are the key properties of N'-but-2-enyl-N,N'-dimethylethane-1,2-diamine?
N'-but-2-enyl-N,N'-dimethylethane-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-2-enyl-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 77016632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).