1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine

C17H25N5O — CID 30311701

IUPAC1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine
SMILESCCCNC1(c2nnnn2-c2cccc(OC)c2)CCCCC1
InChIInChI=1S/C17H25N5O/c1-3-12-18-17(10-5-4-6-11-17)16-19-20-21-22(16)14-8-7-9-15(13-14)23-2/h7-9,13,18H,3-6,10-12H2,1-2H3
InChIKeyPIFHCBVYTXALAX-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.83
Rot. Bonds6

About 1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine

1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine (PubChem CID 30311701) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine
PubChem CID30311701
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine
SMILESCCCNC1(c2nnnn2-c2cccc(OC)c2)CCCCC1
InChIInChI=1S/C17H25N5O/c1-3-12-18-17(10-5-4-6-11-17)16-19-20-21-22(16)14-8-7-9-15(13-14)23-2/h7-9,13,18H,3-6,10-12H2,1-2H3
InChIKeyPIFHCBVYTXALAX-UHFFFAOYSA-N
XLogP2.83
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312108
1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine
CID 30311681
N,N-diethyl-1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexan-1-amine
CID 30311781
3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30309923
ethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate
CID 30312714
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084879
ethyl 3-[5-[1-(4-methoxyanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30309882
1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine
CID 50812701
ethyl 2-[[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]amino]acetate
CID 53297705
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline
CID 605453
N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30310198
3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
CID 3417186

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine?
The IUPAC name of 1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine (CID 30311701) is 1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine is CCCNC1(c2nnnn2-c2cccc(OC)c2)CCCCC1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine?
The InChIKey is PIFHCBVYTXALAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-3-12-18-17(10-5-4-6-11-17)16-19-20-21-22(16)14-8-7-9-15(13-14)23-2/h7-9,13,18H,3-6,10-12H2,1-2H3.
What are the key properties of 1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine?
1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine has a molecular weight of 315.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 30311701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).