N-(4,5-dihydro-1H-imidazol-2-yl)-N'-propan-2-ylethane-1,2-diamine

C8H18N4 — CID 114401726

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNC1=NCCN1
InChIInChI=1S/C8H18N4/c1-7(2)9-3-4-10-8-11-5-6-12-8/h7,9H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeyFMDNEGRWHZLONP-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.47
Rot. Bonds4

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

N-(4,5-dihydro-1H-imidazol-2-yl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 114401726) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID114401726
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNC1=NCCN1
InChIInChI=1S/C8H18N4/c1-7(2)9-3-4-10-8-11-5-6-12-8/h7,9H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeyFMDNEGRWHZLONP-UHFFFAOYSA-N
XLogP-0.47
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.47
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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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-N'-propan-2-ylethane-1,2-diamine (CID 114401726) is N-(4,5-dihydro-1H-imidazol-2-yl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-N'-propan-2-ylethane-1,2-diamine is CC(C)NCCNC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is FMDNEGRWHZLONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-7(2)9-3-4-10-8-11-5-6-12-8/h7,9H,3-6H2,1-2H3,(H2,10,11,12).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-N'-propan-2-ylethane-1,2-diamine?
N-(4,5-dihydro-1H-imidazol-2-yl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 170.26 g/mol, XLogP of -0.47, 4 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)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 114401726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).