N-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

C13H26N4O — CID 106570460

IUPACN-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCOCCCn1ccnc1NCCN(C)C(C)C
InChIInChI=1S/C13H26N4O/c1-12(2)16(3)9-6-14-13-15-7-10-17(13)8-5-11-18-4/h7,10,12H,5-6,8-9,11H2,1-4H3,(H,14,15)
InChIKeyVZRNTVFRRPSUES-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.67
Rot. Bonds9

About N-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

N-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 106570460) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID106570460
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCOCCCn1ccnc1NCCN(C)C(C)C
InChIInChI=1S/C13H26N4O/c1-12(2)16(3)9-6-14-13-15-7-10-17(13)8-5-11-18-4/h7,10,12H,5-6,8-9,11H2,1-4H3,(H,14,15)
InChIKeyVZRNTVFRRPSUES-UHFFFAOYSA-N
XLogP1.67
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (CID 106570460) is N-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is COCCCn1ccnc1NCCN(C)C(C)C.
What is the InChIKey of N-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is VZRNTVFRRPSUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-12(2)16(3)9-6-14-13-15-7-10-17(13)8-5-11-18-4/h7,10,12H,5-6,8-9,11H2,1-4H3,(H,14,15).
What are the key properties of N-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
N-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 1.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 106570460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).