N'-(1-imidazol-1-ylpropan-2-yl)-2-propan-2-ylpropane-1,3-diamine

C12H24N4 — CID 107441820

IUPACN'-(1-imidazol-1-ylpropan-2-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC(Cn1ccnc1)NCC(CN)C(C)C
InChIInChI=1S/C12H24N4/c1-10(2)12(6-13)7-15-11(3)8-16-5-4-14-9-16/h4-5,9-12,15H,6-8,13H2,1-3H3
InChIKeyHFMGXEPCKPFRIK-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.09
Rot. Bonds7

About N'-(1-imidazol-1-ylpropan-2-yl)-2-propan-2-ylpropane-1,3-diamine

N'-(1-imidazol-1-ylpropan-2-yl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107441820) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-(1-imidazol-1-ylpropan-2-yl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-imidazol-1-ylpropan-2-yl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID107441820
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN'-(1-imidazol-1-ylpropan-2-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC(Cn1ccnc1)NCC(CN)C(C)C
InChIInChI=1S/C12H24N4/c1-10(2)12(6-13)7-15-11(3)8-16-5-4-14-9-16/h4-5,9-12,15H,6-8,13H2,1-3H3
InChIKeyHFMGXEPCKPFRIK-UHFFFAOYSA-N
XLogP1.09
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 3-(1-imidazol-1-ylpropan-2-ylamino)propanoate
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Frequently Asked Questions

What is the IUPAC name of N'-(1-imidazol-1-ylpropan-2-yl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(1-imidazol-1-ylpropan-2-yl)-2-propan-2-ylpropane-1,3-diamine (CID 107441820) is N'-(1-imidazol-1-ylpropan-2-yl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(1-imidazol-1-ylpropan-2-yl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(1-imidazol-1-ylpropan-2-yl)-2-propan-2-ylpropane-1,3-diamine is CC(Cn1ccnc1)NCC(CN)C(C)C.
What is the InChIKey of N'-(1-imidazol-1-ylpropan-2-yl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is HFMGXEPCKPFRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-10(2)12(6-13)7-15-11(3)8-16-5-4-14-9-16/h4-5,9-12,15H,6-8,13H2,1-3H3.
What are the key properties of N'-(1-imidazol-1-ylpropan-2-yl)-2-propan-2-ylpropane-1,3-diamine?
N'-(1-imidazol-1-ylpropan-2-yl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-imidazol-1-ylpropan-2-yl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107441820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).