1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine

C15H30N4O — CID 106555590

IUPAC1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1CCN(C(C)C)C(C)C
InChIInChI=1S/C15H30N4O/c1-13(2)19(14(3)4)11-10-18-9-8-17-15(18)16-7-6-12-20-5/h8-9,13-14H,6-7,10-12H2,1-5H3,(H,16,17)
InChIKeyPKPAMGIXZPMTRO-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.45
Rot. Bonds10

About 1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine

1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106555590) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine
PubChem CID106555590
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1CCN(C(C)C)C(C)C
InChIInChI=1S/C15H30N4O/c1-13(2)19(14(3)4)11-10-18-9-8-17-15(18)16-7-6-12-20-5/h8-9,13-14H,6-7,10-12H2,1-5H3,(H,16,17)
InChIKeyPKPAMGIXZPMTRO-UHFFFAOYSA-N
XLogP2.45
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.45
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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Related Compounds

N-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine
CID 106555556
N-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106570460
N-(3-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106554984
1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106558829
N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine
CID 106558814
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine
CID 106568485
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
CID 106554826
N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106565958
N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine
CID 106581208

Frequently Asked Questions

What is the IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine (CID 106555590) is 1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine is COCCCNc1nccn1CCN(C(C)C)C(C)C.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is PKPAMGIXZPMTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-13(2)19(14(3)4)11-10-18-9-8-17-15(18)16-7-6-12-20-5/h8-9,13-14H,6-7,10-12H2,1-5H3,(H,16,17).
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine?
1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 282.43 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106555590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).