N'-(4,5-dihydro-1H-imidazol-2-yl)propane-1,3-diamine

C6H14N4 — CID 22594256

IUPACN'-(4,5-dihydro-1H-imidazol-2-yl)propane-1,3-diamine
SMILESNCCCNC1=NCCN1
InChIInChI=1S/C6H14N4/c7-2-1-3-8-6-9-4-5-10-6/h1-5,7H2,(H2,8,9,10)
InChIKeyQRVJHZWTEYSIOR-UHFFFAOYSA-N
MW142.21 g/mol
LogP-1.12
Rot. Bonds3

About N'-(4,5-dihydro-1H-imidazol-2-yl)propane-1,3-diamine

N'-(4,5-dihydro-1H-imidazol-2-yl)propane-1,3-diamine (PubChem CID 22594256) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is N'-(4,5-dihydro-1H-imidazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4,5-dihydro-1H-imidazol-2-yl)propane-1,3-diamine
PubChem CID22594256
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC NameN'-(4,5-dihydro-1H-imidazol-2-yl)propane-1,3-diamine
SMILESNCCCNC1=NCCN1
InChIInChI=1S/C6H14N4/c7-2-1-3-8-6-9-4-5-10-6/h1-5,7H2,(H2,8,9,10)
InChIKeyQRVJHZWTEYSIOR-UHFFFAOYSA-N
XLogP-1.12
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-4,5-dihydro-1H-imidazol-2-amine
CID 71402010
1-N-(4,5-dihydro-1H-imidazol-2-yl)pentane-1,4-diamine
CID 134386603
3-(4,5-dihydro-1H-imidazol-2-ylamino)propane-1-sulfonamide
CID 115606290
N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride
CID 139950285
N-(4,5-dihydro-1H-imidazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 114401726
N-(4,4-dimethylhexyl)-4,5-dihydro-1H-imidazol-2-amine
CID 130344576
N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1H-imidazol-2-amine
CID 115606272
N-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine
CID 114401174
N-cycloheptyl-N'-(4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine
CID 114401778
N-(2-piperidin-1-ylethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 112688186
1-N-(4,5-dihydro-1H-imidazol-2-yl)propane-1,2-diamine
CID 114401743
N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine
CID 89121666

Frequently Asked Questions

What is the IUPAC name of N'-(4,5-dihydro-1H-imidazol-2-yl)propane-1,3-diamine?
The IUPAC name of N'-(4,5-dihydro-1H-imidazol-2-yl)propane-1,3-diamine (CID 22594256) is N'-(4,5-dihydro-1H-imidazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(4,5-dihydro-1H-imidazol-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-(4,5-dihydro-1H-imidazol-2-yl)propane-1,3-diamine is NCCCNC1=NCCN1.
What is the InChIKey of N'-(4,5-dihydro-1H-imidazol-2-yl)propane-1,3-diamine?
The InChIKey is QRVJHZWTEYSIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4/c7-2-1-3-8-6-9-4-5-10-6/h1-5,7H2,(H2,8,9,10).
What are the key properties of N'-(4,5-dihydro-1H-imidazol-2-yl)propane-1,3-diamine?
N'-(4,5-dihydro-1H-imidazol-2-yl)propane-1,3-diamine has a molecular weight of 142.21 g/mol, XLogP of -1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dihydro-1H-imidazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 22594256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).