2-methyl-4-[3-methyl-1-(1-propan-2-yltriazol-4-yl)pentan-3-yl]oxy-N-propan-2-ylbutan-2-amine

C19H38N4O — CID 177193470

IUPAC2-methyl-4-[3-methyl-1-(1-propan-2-yltriazol-4-yl)pentan-3-yl]oxy-N-propan-2-ylbutan-2-amine
SMILESCCC(C)(CCc1cn(C(C)C)nn1)OCCC(C)(C)NC(C)C
InChIInChI=1S/C19H38N4O/c1-9-19(8,24-13-12-18(6,7)20-15(2)3)11-10-17-14-23(16(4)5)22-21-17/h14-16,20H,9-13H2,1-8H3
InChIKeyKROVDQZAYZFXMO-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.14
Rot. Bonds11

About 2-methyl-4-[3-methyl-1-(1-propan-2-yltriazol-4-yl)pentan-3-yl]oxy-N-propan-2-ylbutan-2-amine

2-methyl-4-[3-methyl-1-(1-propan-2-yltriazol-4-yl)pentan-3-yl]oxy-N-propan-2-ylbutan-2-amine (PubChem CID 177193470) has the molecular formula C19H38N4O and a molecular weight of 338.54 g/mol. Its IUPAC name is 2-methyl-4-[3-methyl-1-(1-propan-2-yltriazol-4-yl)pentan-3-yl]oxy-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound Name2-methyl-4-[3-methyl-1-(1-propan-2-yltriazol-4-yl)pentan-3-yl]oxy-N-propan-2-ylbutan-2-amine
PubChem CID177193470
Molecular FormulaC19H38N4O
Molecular Weight338.54 g/mol
Exact Mass338.30
IUPAC Name2-methyl-4-[3-methyl-1-(1-propan-2-yltriazol-4-yl)pentan-3-yl]oxy-N-propan-2-ylbutan-2-amine
SMILESCCC(C)(CCc1cn(C(C)C)nn1)OCCC(C)(C)NC(C)C
InChIInChI=1S/C19H38N4O/c1-9-19(8,24-13-12-18(6,7)20-15(2)3)11-10-17-14-23(16(4)5)22-21-17/h14-16,20H,9-13H2,1-8H3
InChIKeyKROVDQZAYZFXMO-UHFFFAOYSA-N
XLogP4.14
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-methyl-1-(1-propan-2-yltriazol-4-yl)pentan-3-yl]oxy-N-propan-2-ylbutan-2-amine?
The IUPAC name of 2-methyl-4-[3-methyl-1-(1-propan-2-yltriazol-4-yl)pentan-3-yl]oxy-N-propan-2-ylbutan-2-amine (CID 177193470) is 2-methyl-4-[3-methyl-1-(1-propan-2-yltriazol-4-yl)pentan-3-yl]oxy-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for 2-methyl-4-[3-methyl-1-(1-propan-2-yltriazol-4-yl)pentan-3-yl]oxy-N-propan-2-ylbutan-2-amine?
The canonical SMILES for 2-methyl-4-[3-methyl-1-(1-propan-2-yltriazol-4-yl)pentan-3-yl]oxy-N-propan-2-ylbutan-2-amine is CCC(C)(CCc1cn(C(C)C)nn1)OCCC(C)(C)NC(C)C.
What is the InChIKey of 2-methyl-4-[3-methyl-1-(1-propan-2-yltriazol-4-yl)pentan-3-yl]oxy-N-propan-2-ylbutan-2-amine?
The InChIKey is KROVDQZAYZFXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O/c1-9-19(8,24-13-12-18(6,7)20-15(2)3)11-10-17-14-23(16(4)5)22-21-17/h14-16,20H,9-13H2,1-8H3.
What are the key properties of 2-methyl-4-[3-methyl-1-(1-propan-2-yltriazol-4-yl)pentan-3-yl]oxy-N-propan-2-ylbutan-2-amine?
2-methyl-4-[3-methyl-1-(1-propan-2-yltriazol-4-yl)pentan-3-yl]oxy-N-propan-2-ylbutan-2-amine has a molecular weight of 338.54 g/mol, XLogP of 4.14, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-methyl-1-(1-propan-2-yltriazol-4-yl)pentan-3-yl]oxy-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 177193470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).