1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine

C15H27N3O — CID 116722542

IUPAC1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(NCC)C(OC)C1CC1
InChIInChI=1S/C15H27N3O/c1-4-9-18-10-8-17-14(18)11-13(16-5-2)15(19-3)12-6-7-12/h8,10,12-13,15-16H,4-7,9,11H2,1-3H3
InChIKeyDQWSTJKSALNZGJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.24
Rot. Bonds9

About 1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine

1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine (PubChem CID 116722542) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine
PubChem CID116722542
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(NCC)C(OC)C1CC1
InChIInChI=1S/C15H27N3O/c1-4-9-18-10-8-17-14(18)11-13(16-5-2)15(19-3)12-6-7-12/h8,10,12-13,15-16H,4-7,9,11H2,1-3H3
InChIKeyDQWSTJKSALNZGJ-UHFFFAOYSA-N
XLogP2.24
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-diethoxy-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79761416
1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751471
3-cyclopropyl-N-ethyl-1-(1-ethylimidazol-2-yl)butan-2-amine
CID 105009226
1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760658
1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105012316
N-methyl-1-(3-methylcyclopentyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79762352
N,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 116761173
N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine
CID 116715779
N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105167661
4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105012509
N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79752910
1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79760970

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine (CID 116722542) is 1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine is CCCn1ccnc1CC(NCC)C(OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine?
The InChIKey is DQWSTJKSALNZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-9-18-10-8-17-14(18)11-13(16-5-2)15(19-3)12-6-7-12/h8,10,12-13,15-16H,4-7,9,11H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine?
1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 116722542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).