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

C15H21N5 — CID 107044693

IUPAC2-[(2-methyltetrazol-5-yl)methyl]-4-phenylcyclohexan-1-amine
SMILESCn1nnc(CC2CC(c3ccccc3)CCC2N)n1
InChIInChI=1S/C15H21N5/c1-20-18-15(17-19-20)10-13-9-12(7-8-14(13)16)11-5-3-2-4-6-11/h2-6,12-14H,7-10,16H2,1H3
InChIKeyYIGTVTRGITYBCC-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.66
Rot. Bonds3

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

2-[(2-methyltetrazol-5-yl)methyl]-4-phenylcyclohexan-1-amine (PubChem CID 107044693) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-[(2-methyltetrazol-5-yl)methyl]-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-methyltetrazol-5-yl)methyl]-4-phenylcyclohexan-1-amine
PubChem CID107044693
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-[(2-methyltetrazol-5-yl)methyl]-4-phenylcyclohexan-1-amine
SMILESCn1nnc(CC2CC(c3ccccc3)CCC2N)n1
InChIInChI=1S/C15H21N5/c1-20-18-15(17-19-20)10-13-9-12(7-8-14(13)16)11-5-3-2-4-6-11/h2-6,12-14H,7-10,16H2,1H3
InChIKeyYIGTVTRGITYBCC-UHFFFAOYSA-N
XLogP1.66
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methylphenyl)methyl]-4-phenylcyclohexan-1-amine
CID 63401099
[(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol
CID 50989531
2-[(5-chlorothiophen-2-yl)methyl]-4-phenylcyclohexan-1-amine
CID 63401279
2-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-ol
CID 107052325
4-phenyl-2-(2-propoxyethyl)cyclohexan-1-amine
CID 106454495
1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107046178
4-phenyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727261
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-phenylcyclohexan-1-amine
CID 64633206
2-(4,4-dimethylpiperidin-1-yl)-4-phenylcyclohexan-1-amine
CID 62936547
2-N-butyl-2-N-methyl-4-phenylcyclohexane-1,2-diamine
CID 43100966
(3-benzyl-4-chlorocyclohexyl)benzene
CID 63471398
2-N-ethyl-2-N-(2-methylbutyl)-4-phenylcyclohexane-1,2-diamine
CID 79481944

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl]-4-phenylcyclohexan-1-amine?
The IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl]-4-phenylcyclohexan-1-amine (CID 107044693) is 2-[(2-methyltetrazol-5-yl)methyl]-4-phenylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2-methyltetrazol-5-yl)methyl]-4-phenylcyclohexan-1-amine?
The canonical SMILES for 2-[(2-methyltetrazol-5-yl)methyl]-4-phenylcyclohexan-1-amine is Cn1nnc(CC2CC(c3ccccc3)CCC2N)n1.
What is the InChIKey of 2-[(2-methyltetrazol-5-yl)methyl]-4-phenylcyclohexan-1-amine?
The InChIKey is YIGTVTRGITYBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-20-18-15(17-19-20)10-13-9-12(7-8-14(13)16)11-5-3-2-4-6-11/h2-6,12-14H,7-10,16H2,1H3.
What are the key properties of 2-[(2-methyltetrazol-5-yl)methyl]-4-phenylcyclohexan-1-amine?
2-[(2-methyltetrazol-5-yl)methyl]-4-phenylcyclohexan-1-amine has a molecular weight of 271.37 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyltetrazol-5-yl)methyl]-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 107044693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).