N,2,2-trimethyl-3-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-1-amine

C16H31N5O — CID 70727384

IUPACN,2,2-trimethyl-3-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-1-amine
SMILESCC(C)n1cnnc1CN(C)CC(C)(C)CN1CCOCC1
InChIInChI=1S/C16H31N5O/c1-14(2)21-13-17-18-15(21)10-19(5)11-16(3,4)12-20-6-8-22-9-7-20/h13-14H,6-12H2,1-5H3
InChIKeyVUAGIBJNCUJUCA-UHFFFAOYSA-N
MW309.46 g/mol
LogP1.65
Rot. Bonds7

About N,2,2-trimethyl-3-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-1-amine

N,2,2-trimethyl-3-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-1-amine (PubChem CID 70727384) has the molecular formula C16H31N5O and a molecular weight of 309.46 g/mol. Its IUPAC name is N,2,2-trimethyl-3-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-3-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-1-amine
PubChem CID70727384
Molecular FormulaC16H31N5O
Molecular Weight309.46 g/mol
Exact Mass309.25
IUPAC NameN,2,2-trimethyl-3-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-1-amine
SMILESCC(C)n1cnnc1CN(C)CC(C)(C)CN1CCOCC1
InChIInChI=1S/C16H31N5O/c1-14(2)21-13-17-18-15(21)10-19(5)11-16(3,4)12-20-6-8-22-9-7-20/h13-14H,6-12H2,1-5H3
InChIKeyVUAGIBJNCUJUCA-UHFFFAOYSA-N
XLogP1.65
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N,2,2-trimethyl-3-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-1-amine (CID 70727384) is N,2,2-trimethyl-3-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-3-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-3-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-1-amine is CC(C)n1cnnc1CN(C)CC(C)(C)CN1CCOCC1.
What is the InChIKey of N,2,2-trimethyl-3-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The InChIKey is VUAGIBJNCUJUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5O/c1-14(2)21-13-17-18-15(21)10-19(5)11-16(3,4)12-20-6-8-22-9-7-20/h13-14H,6-12H2,1-5H3.
What are the key properties of N,2,2-trimethyl-3-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
N,2,2-trimethyl-3-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-1-amine has a molecular weight of 309.46 g/mol, XLogP of 1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 70727384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).