1-imidazol-1-ylpropane-1,1-diamine

C6H12N4 — CID 67171821

IUPAC1-imidazol-1-ylpropane-1,1-diamine
SMILESCCC(N)(N)n1ccnc1
InChIInChI=1S/C6H12N4/c1-2-6(7,8)10-4-3-9-5-10/h3-5H,2,7-8H2,1H3
InChIKeyDXSTVSYUMWFTCD-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.18
Rot. Bonds2

About 1-imidazol-1-ylpropane-1,1-diamine

1-imidazol-1-ylpropane-1,1-diamine (PubChem CID 67171821) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-imidazol-1-ylpropane-1,1-diamine.

Molecular Properties

Compound Name1-imidazol-1-ylpropane-1,1-diamine
PubChem CID67171821
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1-imidazol-1-ylpropane-1,1-diamine
SMILESCCC(N)(N)n1ccnc1
InChIInChI=1S/C6H12N4/c1-2-6(7,8)10-4-3-9-5-10/h3-5H,2,7-8H2,1H3
InChIKeyDXSTVSYUMWFTCD-UHFFFAOYSA-N
XLogP-0.18
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethyloctan-4-yl)imidazole
CID 57179751
1-(tribromomethyl)imidazole
CID 174422009
1-(2-imidazol-1-ylhexan-2-yl)imidazole
CID 174761890
1-(3-ethyl-2,2,6-trimethylhept-5-en-3-yl)imidazole
CID 170367046
2-imidazol-1-ylpropan-2-ol
CID 57110355
1-(2-methylundecan-2-yl)imidazole
CID 151900805
ethyl 1,1,2,2-tetrafluoro-2-imidazol-1-ylethanesulfonate
CID 174983529
(2-imidazol-1-yl-2-methylpropyl) hypoiodite
CID 170391242
2-imidazol-1-yltridecan-2-ol
CID 87316839
1-(4-butyl-3-methyldocosan-3-yl)imidazole
CID 69391247
2-imidazol-1-yl-2-octyldecanamide
CID 175292501
1-(1,1,2,2,2-pentafluoroethyl)imidazole
CID 87105376

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-ylpropane-1,1-diamine?
The IUPAC name of 1-imidazol-1-ylpropane-1,1-diamine (CID 67171821) is 1-imidazol-1-ylpropane-1,1-diamine.
What is the SMILES notation for 1-imidazol-1-ylpropane-1,1-diamine?
The canonical SMILES for 1-imidazol-1-ylpropane-1,1-diamine is CCC(N)(N)n1ccnc1.
What is the InChIKey of 1-imidazol-1-ylpropane-1,1-diamine?
The InChIKey is DXSTVSYUMWFTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-2-6(7,8)10-4-3-9-5-10/h3-5H,2,7-8H2,1H3.
What are the key properties of 1-imidazol-1-ylpropane-1,1-diamine?
1-imidazol-1-ylpropane-1,1-diamine has a molecular weight of 140.19 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-ylpropane-1,1-diamine is sourced from PubChem (CID 67171821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).