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

C13H23N5 — CID 63999774

IUPACN-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESCC1CCC(n2nnnc2CNC2CC2)C(C)C1
InChIInChI=1S/C13H23N5/c1-9-3-6-12(10(2)7-9)18-13(15-16-17-18)8-14-11-4-5-11/h9-12,14H,3-8H2,1-2H3
InChIKeyDQPSDALHIMUYLY-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.92
Rot. Bonds4

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

N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 63999774) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID63999774
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESCC1CCC(n2nnnc2CNC2CC2)C(C)C1
InChIInChI=1S/C13H23N5/c1-9-3-6-12(10(2)7-9)18-13(15-16-17-18)8-14-11-4-5-11/h9-12,14H,3-8H2,1-2H3
InChIKeyDQPSDALHIMUYLY-UHFFFAOYSA-N
XLogP1.92
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63997160
N-[[1-(2-methyloxan-4-yl)tetrazol-5-yl]methyl]cyclopropanamine
CID 114109347
N-[[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
CID 63243927
N-[[1-(3-ethoxycyclobutyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 114120260
N-[[1-(2-methylcyclopentyl)tetrazol-5-yl]methyl]propan-1-amine
CID 63281708
N-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
CID 62737427
N-[[1-(3-methylbutan-2-yl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737264
4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 60672744
N-[[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 79878886
N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
CID 62762045
N-[[1-(2,2-dimethylpropyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62761510
2-methoxy-N-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
CID 62737252

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine (CID 63999774) is N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine is CC1CCC(n2nnnc2CNC2CC2)C(C)C1.
What is the InChIKey of N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is DQPSDALHIMUYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-9-3-6-12(10(2)7-9)18-13(15-16-17-18)8-14-11-4-5-11/h9-12,14H,3-8H2,1-2H3.
What are the key properties of N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 249.36 g/mol, XLogP of 1.92, 4 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]cyclopropanamine is sourced from PubChem (CID 63999774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).