N-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]cyclohexanamine

C14H25N5O — CID 23800659

IUPACN-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]cyclohexanamine
SMILESCN(Cc1nnnn1CC1CCCO1)C1CCCCC1
InChIInChI=1S/C14H25N5O/c1-18(12-6-3-2-4-7-12)11-14-15-16-17-19(14)10-13-8-5-9-20-13/h12-13H,2-11H2,1H3
InChIKeyOEQXPZLVIZEWIC-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.62
Rot. Bonds5

About N-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]cyclohexanamine

N-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]cyclohexanamine (PubChem CID 23800659) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]cyclohexanamine
PubChem CID23800659
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]cyclohexanamine
SMILESCN(Cc1nnnn1CC1CCCO1)C1CCCCC1
InChIInChI=1S/C14H25N5O/c1-18(12-6-3-2-4-7-12)11-14-15-16-17-19(14)10-13-8-5-9-20-13/h12-13H,2-11H2,1H3
InChIKeyOEQXPZLVIZEWIC-UHFFFAOYSA-N
XLogP1.62
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[1-(Oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine;hydrochloride
CID 16189615
1-Cyclopentyl-4-{2-methyl-1-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-propyl}-piperazine
CID 6603317
1-Methyl-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 3209519
1-Cyclopentyl-4-[2-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
CID 645951
1-Cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 654137
1-[[1-(Oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine
CID 3173809
4-[(1-Butyltetrazol-5-yl)methyl]-2,5-dimethylmorpholine
CID 51077751
5-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)tetrazole
CID 128980994
5-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)tetrazole
CID 128982295
1-Methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
CID 3209467
1-[1-[1-(Oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-4-prop-2-enylpiperazine
CID 3209472
1-Ethyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 3209476

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]cyclohexanamine?
The IUPAC name of N-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]cyclohexanamine (CID 23800659) is N-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]cyclohexanamine?
The canonical SMILES for N-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]cyclohexanamine is CN(Cc1nnnn1CC1CCCO1)C1CCCCC1.
What is the InChIKey of N-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]cyclohexanamine?
The InChIKey is OEQXPZLVIZEWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-18(12-6-3-2-4-7-12)11-14-15-16-17-19(14)10-13-8-5-9-20-13/h12-13H,2-11H2,1H3.
What are the key properties of N-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]cyclohexanamine?
N-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]cyclohexanamine has a molecular weight of 279.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]cyclohexanamine is sourced from PubChem (CID 23800659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).