(4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanamine

C13H25N5O — CID 114688558

IUPAC(4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCN1CCOC(C(N)c2cnnn2CCC)C1
InChIInChI=1S/C13H25N5O/c1-3-5-17-7-8-19-12(10-17)13(14)11-9-15-16-18(11)6-4-2/h9,12-13H,3-8,10,14H2,1-2H3
InChIKeyKUMVGSCZQVXRLO-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.80
Rot. Bonds6

About (4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanamine

(4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanamine (PubChem CID 114688558) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is (4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanamine
PubChem CID114688558
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name(4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCN1CCOC(C(N)c2cnnn2CCC)C1
InChIInChI=1S/C13H25N5O/c1-3-5-17-7-8-19-12(10-17)13(14)11-9-15-16-18(11)6-4-2/h9,12-13H,3-8,10,14H2,1-2H3
InChIKeyKUMVGSCZQVXRLO-UHFFFAOYSA-N
XLogP0.80
TPSA69.20 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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl-(4-propylmorpholin-2-yl)methanamine
CID 79657763
3-[amino-(4-propylmorpholin-2-yl)methyl]pyridin-4-amine
CID 79657694
(4-propylmorpholin-2-yl)-pyrimidin-5-ylmethanamine
CID 79657464
(4-ethylmorpholin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 114688550
N-[(3-methyltriazol-4-yl)-(4-propylmorpholin-2-yl)methyl]ethanamine
CID 114688561
isoquinolin-4-yl-(4-propylmorpholin-2-yl)methanamine
CID 79663744
furan-3-yl-(4-propylmorpholin-2-yl)methanamine
CID 79658317
(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanamine
CID 105038890
N-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688442
(1-ethyl-4-methoxypyrazol-5-yl)-(4-propylmorpholin-2-yl)methanamine
CID 114657813
1-(4-propylmorpholin-2-yl)ethanamine
CID 79658084
3-[amino-(4-propylmorpholin-2-yl)methyl]-4-methylpyridin-2-amine
CID 79658236

Frequently Asked Questions

What is the IUPAC name of (4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of (4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanamine (CID 114688558) is (4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for (4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for (4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanamine is CCCN1CCOC(C(N)c2cnnn2CCC)C1.
What is the InChIKey of (4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanamine?
The InChIKey is KUMVGSCZQVXRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-3-5-17-7-8-19-12(10-17)13(14)11-9-15-16-18(11)6-4-2/h9,12-13H,3-8,10,14H2,1-2H3.
What are the key properties of (4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanamine?
(4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanamine has a molecular weight of 267.38 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 114688558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).