1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine

C14H28N4 — CID 66164186

IUPAC1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine
SMILESCCCN(CCC)C(CN)c1cncn1C(C)C
InChIInChI=1S/C14H28N4/c1-5-7-17(8-6-2)13(9-15)14-10-16-11-18(14)12(3)4/h10-13H,5-9,15H2,1-4H3
InChIKeyMBQSWJXZUNSAOD-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.59
Rot. Bonds8

About 1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine

1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine (PubChem CID 66164186) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine
PubChem CID66164186
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine
SMILESCCCN(CCC)C(CN)c1cncn1C(C)C
InChIInChI=1S/C14H28N4/c1-5-7-17(8-6-2)13(9-15)14-10-16-11-18(14)12(3)4/h10-13H,5-9,15H2,1-4H3
InChIKeyMBQSWJXZUNSAOD-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine?
The IUPAC name of 1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine (CID 66164186) is 1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine.
What is the SMILES notation for 1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine?
The canonical SMILES for 1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine is CCCN(CCC)C(CN)c1cncn1C(C)C.
What is the InChIKey of 1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine?
The InChIKey is MBQSWJXZUNSAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-5-7-17(8-6-2)13(9-15)14-10-16-11-18(14)12(3)4/h10-13H,5-9,15H2,1-4H3.
What are the key properties of 1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine?
1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine is sourced from PubChem (CID 66164186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).