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

C13H25N5O — CID 107050473

IUPACN-[1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nnn(C)n1)C1(C)CCCCO1
InChIInChI=1S/C13H25N5O/c1-4-8-14-11(10-12-15-17-18(3)16-12)13(2)7-5-6-9-19-13/h11,14H,4-10H2,1-3H3
InChIKeyOXEUZMZDFSCFGF-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.08
Rot. Bonds6

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

N-[1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine (PubChem CID 107050473) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
PubChem CID107050473
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC NameN-[1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nnn(C)n1)C1(C)CCCCO1
InChIInChI=1S/C13H25N5O/c1-4-8-14-11(10-12-15-17-18(3)16-12)13(2)7-5-6-9-19-13/h11,14H,4-10H2,1-3H3
InChIKeyOXEUZMZDFSCFGF-UHFFFAOYSA-N
XLogP1.08
TPSA64.86 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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine (CID 107050473) is N-[1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1nnn(C)n1)C1(C)CCCCO1.
What is the InChIKey of N-[1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is OXEUZMZDFSCFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-4-8-14-11(10-12-15-17-18(3)16-12)13(2)7-5-6-9-19-13/h11,14H,4-10H2,1-3H3.
What are the key properties of N-[1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
N-[1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 267.38 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107050473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).