2-methyl-N-[[1-(4-propylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine

C15H29N5 — CID 62761526

IUPAC2-methyl-N-[[1-(4-propylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCCCC1CCC(n2nnnc2CNC(C)(C)C)CC1
InChIInChI=1S/C15H29N5/c1-5-6-12-7-9-13(10-8-12)20-14(17-18-19-20)11-16-15(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyRPGNCYOEVYYBOB-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.09
Rot. Bonds5

About 2-methyl-N-[[1-(4-propylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine

2-methyl-N-[[1-(4-propylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 62761526) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-methyl-N-[[1-(4-propylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(4-propylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine
PubChem CID62761526
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name2-methyl-N-[[1-(4-propylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCCCC1CCC(n2nnnc2CNC(C)(C)C)CC1
InChIInChI=1S/C15H29N5/c1-5-6-12-7-9-13(10-8-12)20-14(17-18-19-20)11-16-15(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyRPGNCYOEVYYBOB-UHFFFAOYSA-N
XLogP3.09
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(4-propylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(4-propylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine (CID 62761526) is 2-methyl-N-[[1-(4-propylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(4-propylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(4-propylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine is CCCC1CCC(n2nnnc2CNC(C)(C)C)CC1.
What is the InChIKey of 2-methyl-N-[[1-(4-propylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is RPGNCYOEVYYBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-5-6-12-7-9-13(10-8-12)20-14(17-18-19-20)11-16-15(2,3)4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(4-propylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(4-propylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(4-propylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62761526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).