N,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine

C16H31N3O — CID 116761173

IUPACN,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
SMILESCCCn1ccnc1CC(NCC)C(CC)(CC)OC
InChIInChI=1S/C16H31N3O/c1-6-11-19-12-10-18-15(19)13-14(17-9-4)16(7-2,8-3)20-5/h10,12,14,17H,6-9,11,13H2,1-5H3
InChIKeyJCYWUNSGZOTQBR-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.02
Rot. Bonds10

About N,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine

N,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine (PubChem CID 116761173) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
PubChem CID116761173
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
SMILESCCCn1ccnc1CC(NCC)C(CC)(CC)OC
InChIInChI=1S/C16H31N3O/c1-6-11-19-12-10-18-15(19)13-14(17-9-4)16(7-2,8-3)20-5/h10,12,14,17H,6-9,11,13H2,1-5H3
InChIKeyJCYWUNSGZOTQBR-UHFFFAOYSA-N
XLogP3.02
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79752910
3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 116759914
3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79753036
N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105167661
3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine
CID 116760949
1,1-diethoxy-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79761416
N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine
CID 63198335
3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine
CID 79762367
[3-ethoxy-3-methyl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine
CID 105274225
5-methoxy-N-propyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79761113
1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 116722542
4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105012509

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine?
The IUPAC name of N,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine (CID 116761173) is N,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine.
What is the SMILES notation for N,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine?
The canonical SMILES for N,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine is CCCn1ccnc1CC(NCC)C(CC)(CC)OC.
What is the InChIKey of N,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine?
The InChIKey is JCYWUNSGZOTQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-6-11-19-12-10-18-15(19)13-14(17-9-4)16(7-2,8-3)20-5/h10,12,14,17H,6-9,11,13H2,1-5H3.
What are the key properties of N,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine?
N,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 3.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine is sourced from PubChem (CID 116761173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).