1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine

C14H27N3O2 — CID 79760658

IUPAC1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCNC(Cc1nccn1CCC)C(OC)OC
InChIInChI=1S/C14H27N3O2/c1-5-7-15-12(14(18-3)19-4)11-13-16-8-10-17(13)9-6-2/h8,10,12,14-15H,5-7,9,11H2,1-4H3
InChIKeyJPEBKASJWQOMJP-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.82
Rot. Bonds10

About 1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine

1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine (PubChem CID 79760658) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
PubChem CID79760658
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCNC(Cc1nccn1CCC)C(OC)OC
InChIInChI=1S/C14H27N3O2/c1-5-7-15-12(14(18-3)19-4)11-13-16-8-10-17(13)9-6-2/h8,10,12,14-15H,5-7,9,11H2,1-4H3
InChIKeyJPEBKASJWQOMJP-UHFFFAOYSA-N
XLogP1.82
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxy-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79761416
5-methoxy-N-propyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79761113
1-(1-ethylimidazol-2-yl)-3-methoxy-N-propylhexan-2-amine
CID 116719464
3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79753036
1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 116722542
N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine
CID 105012472
1-methylsulfonyl-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105012195
[3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-yl]hydrazine
CID 105323296
N-[1-(2-methyl-3-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 105167698
4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 105012491
N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215840
[1-propan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
CID 105226247

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The IUPAC name of 1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine (CID 79760658) is 1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The canonical SMILES for 1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine is CCCNC(Cc1nccn1CCC)C(OC)OC.
What is the InChIKey of 1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The InChIKey is JPEBKASJWQOMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-7-15-12(14(18-3)19-4)11-13-16-8-10-17(13)9-6-2/h8,10,12,14-15H,5-7,9,11H2,1-4H3.
What are the key properties of 1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine?
1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 1.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 79760658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).