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

C13H23N5 — CID 79878886

IUPACN-[[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESCC1(C)CCCCC1n1nnnc1CNC1CC1
InChIInChI=1S/C13H23N5/c1-13(2)8-4-3-5-11(13)18-12(15-16-17-18)9-14-10-6-7-10/h10-11,14H,3-9H2,1-2H3
InChIKeyNQEIJEAIHZJEFD-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.07
Rot. Bonds4

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

N-[[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 79878886) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID79878886
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-[[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESCC1(C)CCCCC1n1nnnc1CNC1CC1
InChIInChI=1S/C13H23N5/c1-13(2)8-4-3-5-11(13)18-12(15-16-17-18)9-14-10-6-7-10/h10-11,14H,3-9H2,1-2H3
InChIKeyNQEIJEAIHZJEFD-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,2-dimethylcyclopropyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62763307
N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 63999774
N-[[1-(3-ethoxycyclobutyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 114120260
N-[[1-(2-methyloxan-4-yl)tetrazol-5-yl]methyl]cyclopropanamine
CID 114109347
N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
CID 62762045
2,2-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 79870597
N-[[1-(2-cyclopentylethyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737833
N-[[1-(2,2-dimethylpropyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62761510
N-[[1-(3-methylbutan-2-yl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737264
N-[[1-(2-cyclohexylethyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62735610
N-[[1-(2-cyclohexyloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 63827261
4-[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]-2-fluoroaniline
CID 79871398

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine (CID 79878886) is N-[[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine is CC1(C)CCCCC1n1nnnc1CNC1CC1.
What is the InChIKey of N-[[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is NQEIJEAIHZJEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-13(2)8-4-3-5-11(13)18-12(15-16-17-18)9-14-10-6-7-10/h10-11,14H,3-9H2,1-2H3.
What are the key properties of N-[[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 249.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79878886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).