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

C13H25N5 — CID 62763129

IUPAC2-methyl-N-[[1-(1-methylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnnn1C1(C)CCCCC1
InChIInChI=1S/C13H25N5/c1-12(2,3)14-10-11-15-16-17-18(11)13(4)8-6-5-7-9-13/h14H,5-10H2,1-4H3
InChIKeyVGBZJFDSHHXSRY-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.24
Rot. Bonds3

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

2-methyl-N-[[1-(1-methylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 62763129) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 2-methyl-N-[[1-(1-methylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(1-methylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine
PubChem CID62763129
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name2-methyl-N-[[1-(1-methylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnnn1C1(C)CCCCC1
InChIInChI=1S/C13H25N5/c1-12(2,3)14-10-11-15-16-17-18(11)13(4)8-6-5-7-9-13/h14H,5-10H2,1-4H3
InChIKeyVGBZJFDSHHXSRY-UHFFFAOYSA-N
XLogP2.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(1-methylcyclopentyl)tetrazol-5-yl]methyl]ethanamine
CID 64687238
N-methyl-1-[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methanamine
CID 62761339
2-methyl-N-[[1-(4-propylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62761526
N-[1-[1-(1-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086936
N-[[1-(1,1-dioxothian-3-yl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63917892
2-methyl-N-[[1-(thiolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine
CID 80586030
N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63997160
2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-2-amine
CID 62737630
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62736275
2-methyl-N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine
CID 62761534
5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106961224
2-methyl-4-[1-(1-methylcyclopentyl)tetrazol-5-yl]aniline
CID 64687835

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(1-methylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(1-methylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine (CID 62763129) is 2-methyl-N-[[1-(1-methylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(1-methylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(1-methylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine is CC(C)(C)NCc1nnnn1C1(C)CCCCC1.
What is the InChIKey of 2-methyl-N-[[1-(1-methylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is VGBZJFDSHHXSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-12(2,3)14-10-11-15-16-17-18(11)13(4)8-6-5-7-9-13/h14H,5-10H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(1-methylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(1-methylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 251.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(1-methylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62763129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).