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

C8H18N2 — CID 146657084

IUPACN'-but-1-enyl-N-ethylethane-1,2-diamine
SMILESCCC=CNCCNCC
InChIInChI=1S/C8H18N2/c1-3-5-6-10-8-7-9-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyLRXISVAYXXRBII-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.11
Rot. Bonds6

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

N'-but-1-enyl-N-ethylethane-1,2-diamine (PubChem CID 146657084) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N'-but-1-enyl-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-but-1-enyl-N-ethylethane-1,2-diamine
PubChem CID146657084
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN'-but-1-enyl-N-ethylethane-1,2-diamine
SMILESCCC=CNCCNCC
InChIInChI=1S/C8H18N2/c1-3-5-6-10-8-7-9-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyLRXISVAYXXRBII-UHFFFAOYSA-N
XLogP1.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]formamide
CID 54012560
(E)-N,N'-bis[3-(ethylamino)propyl]pent-1-ene-1,5-diamine
CID 138564627
N-but-1-enyl-N'-dec-1-enylethane-1,2-diamine
CID 88826631
(E)-4-[2-[2-[[(E)-but-1-enyl]amino]ethylamino]ethylamino]-4-oxobut-2-enoic acid
CID 101277455
N'-but-1-enyl-N-ethyl-N'-methylethane-1,2-diamine
CID 123878182
N-ethyl-N'-hex-3-enylpentane-1,5-diamine
CID 123144490
N'-[2-[2-[2-(dodec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 139695762
N'-[2-[2-[2-(tetradec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 139695795
copper;N,N'-diethylethane-1,2-diamine;diperchlorate
CID 173220280
(E)-N'-ethyl-N-[(E)-2-methylbut-2-enyl]hept-1-ene-1,7-diamine
CID 143441268
N-ethyl-N'-[4-[4-[4-[[(E)-4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butylamino]butyl]butane-1,4-diamine
CID 6476700
(E)-N-ethylpent-3-en-1-amine;hydrochloride
CID 155386330

Frequently Asked Questions

What is the IUPAC name of N'-but-1-enyl-N-ethylethane-1,2-diamine?
The IUPAC name of N'-but-1-enyl-N-ethylethane-1,2-diamine (CID 146657084) is N'-but-1-enyl-N-ethylethane-1,2-diamine.
What is the SMILES notation for N'-but-1-enyl-N-ethylethane-1,2-diamine?
The canonical SMILES for N'-but-1-enyl-N-ethylethane-1,2-diamine is CCC=CNCCNCC.
What is the InChIKey of N'-but-1-enyl-N-ethylethane-1,2-diamine?
The InChIKey is LRXISVAYXXRBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-5-6-10-8-7-9-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of N'-but-1-enyl-N-ethylethane-1,2-diamine?
N'-but-1-enyl-N-ethylethane-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-1-enyl-N-ethylethane-1,2-diamine is sourced from PubChem (CID 146657084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).