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

C13H23N5 — CID 62762045

IUPACN-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
SMILESCC1CCCCC1Cn1nnnc1CNC1CC1
InChIInChI=1S/C13H23N5/c1-10-4-2-3-5-11(10)9-18-13(15-16-17-18)8-14-12-6-7-12/h10-12,14H,2-9H2,1H3
InChIKeyCWLQVMYZVQZVCR-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.75
Rot. Bonds5

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

N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 62762045) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID62762045
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
SMILESCC1CCCCC1Cn1nnnc1CNC1CC1
InChIInChI=1S/C13H23N5/c1-10-4-2-3-5-11(10)9-18-13(15-16-17-18)8-14-12-6-7-12/h10-12,14H,2-9H2,1H3
InChIKeyCWLQVMYZVQZVCR-UHFFFAOYSA-N
XLogP1.75
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine
CID 107420733
5-(chloromethyl)-1-[(2-methylcyclohexyl)methyl]tetrazole
CID 62736064
N-[[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
CID 63243927
N-[[1-(oxan-2-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62763114
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-(2-cyclohexylethyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62735610
N-[[1-(2-cyclohexyloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 63827261
N-[[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 104766007
N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 63999774
1-[1-(cyclobutylmethyl)tetrazol-5-yl]-N-methylmethanamine
CID 62735754
N-[[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 79878886

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine (CID 62762045) is N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine is CC1CCCCC1Cn1nnnc1CNC1CC1.
What is the InChIKey of N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is CWLQVMYZVQZVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-10-4-2-3-5-11(10)9-18-13(15-16-17-18)8-14-12-6-7-12/h10-12,14H,2-9H2,1H3.
What are the key properties of N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 249.36 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62762045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).