N'-ethyl-N'-(1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine

C10H18N4 — CID 106553972

IUPACN'-ethyl-N'-(1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine
SMILESC=CCn1ccnc1N(CC)CCN
InChIInChI=1S/C10H18N4/c1-3-7-14-9-6-12-10(14)13(4-2)8-5-11/h3,6,9H,1,4-5,7-8,11H2,2H3
InChIKeyMPPXXIZIDNNCTO-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.85
Rot. Bonds6

About N'-ethyl-N'-(1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine

N'-ethyl-N'-(1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine (PubChem CID 106553972) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-ethyl-N'-(1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine
PubChem CID106553972
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN'-ethyl-N'-(1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine
SMILESC=CCn1ccnc1N(CC)CCN
InChIInChI=1S/C10H18N4/c1-3-7-14-9-6-12-10(14)13(4-2)8-5-11/h3,6,9H,1,4-5,7-8,11H2,2H3
InChIKeyMPPXXIZIDNNCTO-UHFFFAOYSA-N
XLogP0.85
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(1-prop-2-enylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 106552136
N'-[(1-prop-2-enylimidazol-2-yl)methyl]butane-1,4-diamine
CID 126714321
3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one
CID 62922421
N,N-diethyl-1-methylimidazol-2-amine
CID 130557690
1-prop-2-enyl-2-[(1-prop-2-enylimidazol-2-yl)disulfanyl]imidazole
CID 87557536
N-(2-methylpentan-3-yl)-1-prop-2-enylimidazol-2-amine
CID 106564882
N'-(1-ethylimidazol-2-yl)-N'-methylpentane-1,5-diamine
CID 107206923
1-prop-2-enylimidazole-2-carboxamide
CID 70066654
N'-ethyl-N'-(1H-imidazol-2-yl)ethane-1,2-diamine
CID 106553953
N'-ethyl-N'-(4-ethyl-1-propylimidazol-2-yl)ethane-1,2-diamine
CID 106553982
1,3-dimethyl-N-(1-prop-2-enylimidazol-2-yl)pyrazol-4-amine
CID 106583191
3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one
CID 62928019

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine (CID 106553972) is N'-ethyl-N'-(1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine is C=CCn1ccnc1N(CC)CCN.
What is the InChIKey of N'-ethyl-N'-(1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine?
The InChIKey is MPPXXIZIDNNCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-7-14-9-6-12-10(14)13(4-2)8-5-11/h3,6,9H,1,4-5,7-8,11H2,2H3.
What are the key properties of N'-ethyl-N'-(1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine?
N'-ethyl-N'-(1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 106553972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).