N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine

C14H27N5 — CID 63997160

IUPACN-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC1CCC(n2nnnc2CNC(C)(C)C)C(C)C1
InChIInChI=1S/C14H27N5/c1-10-6-7-12(11(2)8-10)19-13(16-17-18-19)9-15-14(3,4)5/h10-12,15H,6-9H2,1-5H3
InChIKeyAUVGQNYCRXZISF-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.56
Rot. Bonds3

About N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 63997160) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID63997160
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC NameN-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC1CCC(n2nnnc2CNC(C)(C)C)C(C)C1
InChIInChI=1S/C14H27N5/c1-10-6-7-12(11(2)8-10)19-13(16-17-18-19)9-15-14(3,4)5/h10-12,15H,6-9H2,1-5H3
InChIKeyAUVGQNYCRXZISF-UHFFFAOYSA-N
XLogP2.56
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine (CID 63997160) is N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine is CC1CCC(n2nnnc2CNC(C)(C)C)C(C)C1.
What is the InChIKey of N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is AUVGQNYCRXZISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-10-6-7-12(11(2)8-10)19-13(16-17-18-19)9-15-14(3,4)5/h10-12,15H,6-9H2,1-5H3.
What are the key properties of N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63997160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).