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

C14H26N4O2 — CID 114689312

IUPACN-[(4-methoxyoxan-4-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
SMILESCCCn1nncc1C(NCC)C1(OC)CCOCC1
InChIInChI=1S/C14H26N4O2/c1-4-8-18-12(11-16-17-18)13(15-5-2)14(19-3)6-9-20-10-7-14/h11,13,15H,4-10H2,1-3H3
InChIKeyUXBDSJHRZOEGRZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.53
Rot. Bonds7

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

N-[(4-methoxyoxan-4-yl)-(3-propyltriazol-4-yl)methyl]ethanamine (PubChem CID 114689312) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(4-methoxyoxan-4-yl)-(3-propyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxyoxan-4-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
PubChem CID114689312
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN-[(4-methoxyoxan-4-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
SMILESCCCn1nncc1C(NCC)C1(OC)CCOCC1
InChIInChI=1S/C14H26N4O2/c1-4-8-18-12(11-16-17-18)13(15-5-2)14(19-3)6-9-20-10-7-14/h11,13,15H,4-10H2,1-3H3
InChIKeyUXBDSJHRZOEGRZ-UHFFFAOYSA-N
XLogP1.53
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-methoxyoxan-4-yl)-(3-propyltriazol-4-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114688709
[(4-methoxyoxan-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105276584
N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689357
N-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine
CID 116765061
N-[(2,3-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine
CID 116765066
(2-methyloxolan-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688647
N-[(4-chloro-1-methylpyrazol-5-yl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 114661892
N-ethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 114688493
N-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114689332
N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine
CID 116770400
N-[(5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038850
N-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688442

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyoxan-4-yl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxyoxan-4-yl)-(3-propyltriazol-4-yl)methyl]ethanamine (CID 114689312) is N-[(4-methoxyoxan-4-yl)-(3-propyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxyoxan-4-yl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxyoxan-4-yl)-(3-propyltriazol-4-yl)methyl]ethanamine is CCCn1nncc1C(NCC)C1(OC)CCOCC1.
What is the InChIKey of N-[(4-methoxyoxan-4-yl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The InChIKey is UXBDSJHRZOEGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-4-8-18-12(11-16-17-18)13(15-5-2)14(19-3)6-9-20-10-7-14/h11,13,15H,4-10H2,1-3H3.
What are the key properties of N-[(4-methoxyoxan-4-yl)-(3-propyltriazol-4-yl)methyl]ethanamine?
N-[(4-methoxyoxan-4-yl)-(3-propyltriazol-4-yl)methyl]ethanamine has a molecular weight of 282.39 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyoxan-4-yl)-(3-propyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 114689312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).