N-(2-cyclobutylethyl)-1-(3-cyclopropylimidazol-4-yl)ethane-1,2-diamine

C14H24N4 — CID 113478732

IUPACN-(2-cyclobutylethyl)-1-(3-cyclopropylimidazol-4-yl)ethane-1,2-diamine
SMILESNCC(NCCC1CCC1)c1cncn1C1CC1
InChIInChI=1S/C14H24N4/c15-8-13(17-7-6-11-2-1-3-11)14-9-16-10-18(14)12-4-5-12/h9-13,17H,1-8,15H2
InChIKeyCXHCEHDTMMNEEQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.00
Rot. Bonds7

About N-(2-cyclobutylethyl)-1-(3-cyclopropylimidazol-4-yl)ethane-1,2-diamine

N-(2-cyclobutylethyl)-1-(3-cyclopropylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 113478732) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)-1-(3-cyclopropylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)-1-(3-cyclopropylimidazol-4-yl)ethane-1,2-diamine
PubChem CID113478732
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-(2-cyclobutylethyl)-1-(3-cyclopropylimidazol-4-yl)ethane-1,2-diamine
SMILESNCC(NCCC1CCC1)c1cncn1C1CC1
InChIInChI=1S/C14H24N4/c15-8-13(17-7-6-11-2-1-3-11)14-9-16-10-18(14)12-4-5-12/h9-13,17H,1-8,15H2
InChIKeyCXHCEHDTMMNEEQ-UHFFFAOYSA-N
XLogP2.00
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylethyl)-1-(3-cyclopropylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-cyclobutylethyl)-1-(3-cyclopropylimidazol-4-yl)ethane-1,2-diamine (CID 113478732) is N-(2-cyclobutylethyl)-1-(3-cyclopropylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-cyclobutylethyl)-1-(3-cyclopropylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-cyclobutylethyl)-1-(3-cyclopropylimidazol-4-yl)ethane-1,2-diamine is NCC(NCCC1CCC1)c1cncn1C1CC1.
What is the InChIKey of N-(2-cyclobutylethyl)-1-(3-cyclopropylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is CXHCEHDTMMNEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c15-8-13(17-7-6-11-2-1-3-11)14-9-16-10-18(14)12-4-5-12/h9-13,17H,1-8,15H2.
What are the key properties of N-(2-cyclobutylethyl)-1-(3-cyclopropylimidazol-4-yl)ethane-1,2-diamine?
N-(2-cyclobutylethyl)-1-(3-cyclopropylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)-1-(3-cyclopropylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 113478732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).