N-[1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine

C13H25N5O2 — CID 107051141

IUPACN-[1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nnn(C)n1)C1(OC)CCOCC1
InChIInChI=1S/C13H25N5O2/c1-4-7-14-11(10-12-15-17-18(2)16-12)13(19-3)5-8-20-9-6-13/h11,14H,4-10H2,1-3H3
InChIKeyINJHHYASOOHEFW-UHFFFAOYSA-N
MW283.38 g/mol
LogP0.32
Rot. Bonds7

About N-[1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine

N-[1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine (PubChem CID 107051141) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
PubChem CID107051141
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC NameN-[1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nnn(C)n1)C1(OC)CCOCC1
InChIInChI=1S/C13H25N5O2/c1-4-7-14-11(10-12-15-17-18(2)16-12)13(19-3)5-8-20-9-6-13/h11,14H,4-10H2,1-3H3
InChIKeyINJHHYASOOHEFW-UHFFFAOYSA-N
XLogP0.32
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine (CID 107051141) is N-[1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1nnn(C)n1)C1(OC)CCOCC1.
What is the InChIKey of N-[1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is INJHHYASOOHEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-4-7-14-11(10-12-15-17-18(2)16-12)13(19-3)5-8-20-9-6-13/h11,14H,4-10H2,1-3H3.
What are the key properties of N-[1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
N-[1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107051141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).