N-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine

C13H25N5O — CID 114688442

IUPACN-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
SMILESCCCn1nncc1C(NCC)C1CN(C)CCO1
InChIInChI=1S/C13H25N5O/c1-4-6-18-11(9-15-16-18)13(14-5-2)12-10-17(3)7-8-19-12/h9,12-14H,4-8,10H2,1-3H3
InChIKeyDTRPOLPLSJMBEX-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.67
Rot. Bonds6

About N-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine

N-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine (PubChem CID 114688442) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
PubChem CID114688442
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC NameN-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
SMILESCCCn1nncc1C(NCC)C1CN(C)CCO1
InChIInChI=1S/C13H25N5O/c1-4-6-18-11(9-15-16-18)13(14-5-2)12-10-17(3)7-8-19-12/h9,12-14H,4-8,10H2,1-3H3
InChIKeyDTRPOLPLSJMBEX-UHFFFAOYSA-N
XLogP0.67
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methyltriazol-4-yl)-(4-propylmorpholin-2-yl)methyl]ethanamine
CID 114688561
N-[(1,4-dimethylpiperazin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688546
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 114657209
(4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688558
N-[(4-chloro-1-ethylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 114657208
N-[(4-methylmorpholin-2-yl)-naphthalen-1-ylmethyl]ethanamine
CID 79095140
N-[2,3-dihydro-1H-inden-2-yl-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688139
N-[3,4-dihydro-2H-pyran-5-yl-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 113370614
3-cyclopentyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038705
N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79093754
N-[(3-propyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine
CID 114688770
N-[(3-methyltriazol-4-yl)-(oxan-2-yl)methyl]ethanamine
CID 105043621

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine (CID 114688442) is N-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine is CCCn1nncc1C(NCC)C1CN(C)CCO1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The InChIKey is DTRPOLPLSJMBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-4-6-18-11(9-15-16-18)13(14-5-2)12-10-17(3)7-8-19-12/h9,12-14H,4-8,10H2,1-3H3.
What are the key properties of N-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine?
N-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine has a molecular weight of 267.38 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 114688442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).