1-[(2-methyltetrazol-5-yl)methyl]-4-propylcyclohexan-1-amine

C12H23N5 — CID 107046584

IUPAC1-[(2-methyltetrazol-5-yl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(Cc2nnn(C)n2)CC1
InChIInChI=1S/C12H23N5/c1-3-4-10-5-7-12(13,8-6-10)9-11-14-16-17(2)15-11/h10H,3-9,13H2,1-2H3
InChIKeySDQPDTWMGAPOME-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.44
Rot. Bonds4

About 1-[(2-methyltetrazol-5-yl)methyl]-4-propylcyclohexan-1-amine

1-[(2-methyltetrazol-5-yl)methyl]-4-propylcyclohexan-1-amine (PubChem CID 107046584) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[(2-methyltetrazol-5-yl)methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2-methyltetrazol-5-yl)methyl]-4-propylcyclohexan-1-amine
PubChem CID107046584
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name1-[(2-methyltetrazol-5-yl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(Cc2nnn(C)n2)CC1
InChIInChI=1S/C12H23N5/c1-3-4-10-5-7-12(13,8-6-10)9-11-14-16-17(2)15-11/h10H,3-9,13H2,1-2H3
InChIKeySDQPDTWMGAPOME-UHFFFAOYSA-N
XLogP1.44
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Fluoro-4-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107061495
2-(2-Methyltetrazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 107065333
1-[(2-Methyltetrazol-5-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 113909748
1-[(2-Methyltetrazol-5-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 113909749
2-Methyl-5-(4-methylcyclohexyl)tetrazole
CID 69617517
4-(2-Methyltetrazol-5-yl)cyclohexan-1-amine
CID 117772931
4-ethyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine
CID 61150987
4-propyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine
CID 61151382
4-propan-2-yl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine
CID 62708274
1-(2-Ethyltetrazol-5-yl)cyclohexan-1-amine
CID 84773668
1-(2-Propyltetrazol-5-yl)cyclohexan-1-amine
CID 84780858
1-[2-(2-Methylpropyl)tetrazol-5-yl]cyclohexan-1-amine
CID 84789272

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]-4-propylcyclohexan-1-amine (CID 107046584) is 1-[(2-methyltetrazol-5-yl)methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2-methyltetrazol-5-yl)methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-[(2-methyltetrazol-5-yl)methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(N)(Cc2nnn(C)n2)CC1.
What is the InChIKey of 1-[(2-methyltetrazol-5-yl)methyl]-4-propylcyclohexan-1-amine?
The InChIKey is SDQPDTWMGAPOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-3-4-10-5-7-12(13,8-6-10)9-11-14-16-17(2)15-11/h10H,3-9,13H2,1-2H3.
What are the key properties of 1-[(2-methyltetrazol-5-yl)methyl]-4-propylcyclohexan-1-amine?
1-[(2-methyltetrazol-5-yl)methyl]-4-propylcyclohexan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyltetrazol-5-yl)methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 107046584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).