N-butan-2-yl-N-butyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine

C14H28N4 — CID 66116888

IUPACN-butan-2-yl-N-butyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCCN(C(C)CC)C(CN)c1cncn1C
InChIInChI=1S/C14H28N4/c1-5-7-8-18(12(3)6-2)13(9-15)14-10-16-11-17(14)4/h10-13H,5-9,15H2,1-4H3
InChIKeyLWBJRVDPRKOAHN-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.32
Rot. Bonds8

About N-butan-2-yl-N-butyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine

N-butan-2-yl-N-butyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 66116888) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
PubChem CID66116888
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-butan-2-yl-N-butyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCCN(C(C)CC)C(CN)c1cncn1C
InChIInChI=1S/C14H28N4/c1-5-7-8-18(12(3)6-2)13(9-15)14-10-16-11-17(14)4/h10-13H,5-9,15H2,1-4H3
InChIKeyLWBJRVDPRKOAHN-UHFFFAOYSA-N
XLogP2.32
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N-butyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine (CID 66116888) is N-butan-2-yl-N-butyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N-butyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N-butyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine is CCCCN(C(C)CC)C(CN)c1cncn1C.
What is the InChIKey of N-butan-2-yl-N-butyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is LWBJRVDPRKOAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-5-7-8-18(12(3)6-2)13(9-15)14-10-16-11-17(14)4/h10-13H,5-9,15H2,1-4H3.
What are the key properties of N-butan-2-yl-N-butyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
N-butan-2-yl-N-butyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66116888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).