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

C11H23N7 — CID 10422399

IUPACN'-(4,5-dihydro-1H-imidazol-2-yl)-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]propane-1,3-diamine
SMILESC(CNCCNC1=NCCN1)CNC1=NCCN1
InChIInChI=1S/C11H23N7/c1(3-13-10-15-6-7-16-10)2-12-4-5-14-11-17-8-9-18-11/h12H,1-9H2,(H2,13,15,16)(H2,14,17,18)
InChIKeyZRHRBMOTNNGCHB-UHFFFAOYSA-N
MW253.35 g/mol
LogP-1.94
Rot. Bonds7

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

N'-(4,5-dihydro-1H-imidazol-2-yl)-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]propane-1,3-diamine (PubChem CID 10422399) has the molecular formula C11H23N7 and a molecular weight of 253.35 g/mol. Its IUPAC name is N'-(4,5-dihydro-1H-imidazol-2-yl)-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4,5-dihydro-1H-imidazol-2-yl)-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]propane-1,3-diamine
PubChem CID10422399
Molecular FormulaC11H23N7
Molecular Weight253.35 g/mol
Exact Mass253.20
IUPAC NameN'-(4,5-dihydro-1H-imidazol-2-yl)-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]propane-1,3-diamine
SMILESC(CNCCNC1=NCCN1)CNC1=NCCN1
InChIInChI=1S/C11H23N7/c1(3-13-10-15-6-7-16-10)2-12-4-5-14-11-17-8-9-18-11/h12H,1-9H2,(H2,13,15,16)(H2,14,17,18)
InChIKeyZRHRBMOTNNGCHB-UHFFFAOYSA-N
XLogP-1.94
TPSA84.87 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-1.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]propane-1,3-diamine?
The IUPAC name of N'-(4,5-dihydro-1H-imidazol-2-yl)-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]propane-1,3-diamine (CID 10422399) is N'-(4,5-dihydro-1H-imidazol-2-yl)-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-(4,5-dihydro-1H-imidazol-2-yl)-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-(4,5-dihydro-1H-imidazol-2-yl)-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]propane-1,3-diamine is C(CNCCNC1=NCCN1)CNC1=NCCN1.
What is the InChIKey of N'-(4,5-dihydro-1H-imidazol-2-yl)-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]propane-1,3-diamine?
The InChIKey is ZRHRBMOTNNGCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N7/c1(3-13-10-15-6-7-16-10)2-12-4-5-14-11-17-8-9-18-11/h12H,1-9H2,(H2,13,15,16)(H2,14,17,18).
What are the key properties of N'-(4,5-dihydro-1H-imidazol-2-yl)-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]propane-1,3-diamine?
N'-(4,5-dihydro-1H-imidazol-2-yl)-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]propane-1,3-diamine has a molecular weight of 253.35 g/mol, XLogP of -1.94, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dihydro-1H-imidazol-2-yl)-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]propane-1,3-diamine is sourced from PubChem (CID 10422399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).