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

C13H28N4 — CID 129252636

IUPACN-tert-butyl-N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCNC(C)(C)C)C1=NCCN1
InChIInChI=1S/C13H28N4/c1-5-10-17(12-14-8-9-15-12)11-6-7-16-13(2,3)4/h16H,5-11H2,1-4H3,(H,14,15)
InChIKeyNLHDURPXVXBLQE-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.44
Rot. Bonds6

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

N-tert-butyl-N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine (PubChem CID 129252636) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is N-tert-butyl-N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine
PubChem CID129252636
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC NameN-tert-butyl-N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCNC(C)(C)C)C1=NCCN1
InChIInChI=1S/C13H28N4/c1-5-10-17(12-14-8-9-15-12)11-6-7-16-13(2,3)4/h16H,5-11H2,1-4H3,(H,14,15)
InChIKeyNLHDURPXVXBLQE-UHFFFAOYSA-N
XLogP1.44
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
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-tert-butyl-N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine (CID 129252636) is N-tert-butyl-N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine is CCCN(CCCNC(C)(C)C)C1=NCCN1.
What is the InChIKey of N-tert-butyl-N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine?
The InChIKey is NLHDURPXVXBLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-5-10-17(12-14-8-9-15-12)11-6-7-16-13(2,3)4/h16H,5-11H2,1-4H3,(H,14,15).
What are the key properties of N-tert-butyl-N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine?
N-tert-butyl-N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine has a molecular weight of 240.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 129252636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).