2-ethyl-2-N,2-N-dimethyl-1-(1-propylimidazol-2-yl)butane-1,2-diamine

C14H28N4 — CID 79061867

IUPAC2-ethyl-2-N,2-N-dimethyl-1-(1-propylimidazol-2-yl)butane-1,2-diamine
SMILESCCCn1ccnc1C(N)C(CC)(CC)N(C)C
InChIInChI=1S/C14H28N4/c1-6-10-18-11-9-16-13(18)12(15)14(7-2,8-3)17(4)5/h9,11-12H,6-8,10,15H2,1-5H3
InChIKeyHWABUEXKPIRMTM-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.41
Rot. Bonds7

About 2-ethyl-2-N,2-N-dimethyl-1-(1-propylimidazol-2-yl)butane-1,2-diamine

2-ethyl-2-N,2-N-dimethyl-1-(1-propylimidazol-2-yl)butane-1,2-diamine (PubChem CID 79061867) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-ethyl-2-N,2-N-dimethyl-1-(1-propylimidazol-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N,2-N-dimethyl-1-(1-propylimidazol-2-yl)butane-1,2-diamine
PubChem CID79061867
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name2-ethyl-2-N,2-N-dimethyl-1-(1-propylimidazol-2-yl)butane-1,2-diamine
SMILESCCCn1ccnc1C(N)C(CC)(CC)N(C)C
InChIInChI=1S/C14H28N4/c1-6-10-18-11-9-16-13(18)12(15)14(7-2,8-3)17(4)5/h9,11-12H,6-8,10,15H2,1-5H3
InChIKeyHWABUEXKPIRMTM-UHFFFAOYSA-N
XLogP2.41
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-ol
CID 79047519
3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine
CID 79762367
2-(azepan-1-yl)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 79051819
(2-methylcyclopropyl)-(1-propylimidazol-2-yl)methanamine
CID 65420833
2-(diethylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-1-ol
CID 79064029
2-(diethylamino)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-ol
CID 79053769
2-cyclopentyl-1-(1-propylimidazol-2-yl)ethanamine
CID 115858989
2-methylsulfonyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 115858993
[3,3-dimethyl-1-(1-propylimidazol-2-yl)butyl]hydrazine
CID 105220315
1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine
CID 114656882
1-[amino-(1-propylimidazol-2-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79069803
2-phenyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 114029101

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N,2-N-dimethyl-1-(1-propylimidazol-2-yl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N,2-N-dimethyl-1-(1-propylimidazol-2-yl)butane-1,2-diamine (CID 79061867) is 2-ethyl-2-N,2-N-dimethyl-1-(1-propylimidazol-2-yl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N,2-N-dimethyl-1-(1-propylimidazol-2-yl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N,2-N-dimethyl-1-(1-propylimidazol-2-yl)butane-1,2-diamine is CCCn1ccnc1C(N)C(CC)(CC)N(C)C.
What is the InChIKey of 2-ethyl-2-N,2-N-dimethyl-1-(1-propylimidazol-2-yl)butane-1,2-diamine?
The InChIKey is HWABUEXKPIRMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-6-10-18-11-9-16-13(18)12(15)14(7-2,8-3)17(4)5/h9,11-12H,6-8,10,15H2,1-5H3.
What are the key properties of 2-ethyl-2-N,2-N-dimethyl-1-(1-propylimidazol-2-yl)butane-1,2-diamine?
2-ethyl-2-N,2-N-dimethyl-1-(1-propylimidazol-2-yl)butane-1,2-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N,2-N-dimethyl-1-(1-propylimidazol-2-yl)butane-1,2-diamine is sourced from PubChem (CID 79061867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).