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

C12H23N5O — CID 107050316

IUPACN-[1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nnn(C)n1)C1(C)CCCO1
InChIInChI=1S/C12H23N5O/c1-4-7-13-10(12(2)6-5-8-18-12)9-11-14-16-17(3)15-11/h10,13H,4-9H2,1-3H3
InChIKeyJCFVJGQNDIWUPX-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.69
Rot. Bonds6

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

N-[1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine (PubChem CID 107050316) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
PubChem CID107050316
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC NameN-[1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nnn(C)n1)C1(C)CCCO1
InChIInChI=1S/C12H23N5O/c1-4-7-13-10(12(2)6-5-8-18-12)9-11-14-16-17(3)15-11/h10,13H,4-9H2,1-3H3
InChIKeyJCFVJGQNDIWUPX-UHFFFAOYSA-N
XLogP0.69
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine (CID 107050316) is N-[1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1nnn(C)n1)C1(C)CCCO1.
What is the InChIKey of N-[1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is JCFVJGQNDIWUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-7-13-10(12(2)6-5-8-18-12)9-11-14-16-17(3)15-11/h10,13H,4-9H2,1-3H3.
What are the key properties of N-[1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
N-[1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107050316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).