N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cycloheptanamine

C21H25N5O — CID 17206293

IUPACN-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cycloheptanamine
SMILESc1ccc(-n2nnnc2Oc2cccc(CNC3CCCCCC3)c2)cc1
InChIInChI=1S/C21H25N5O/c1-2-5-11-18(10-4-1)22-16-17-9-8-14-20(15-17)27-21-23-24-25-26(21)19-12-6-3-7-13-19/h3,6-9,12-15,18,22H,1-2,4-5,10-11,16H2
InChIKeyNTSCBPRZHIBADT-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.27
Rot. Bonds6

About N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cycloheptanamine

N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cycloheptanamine (PubChem CID 17206293) has the molecular formula C21H25N5O and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cycloheptanamine
PubChem CID17206293
Molecular FormulaC21H25N5O
Molecular Weight363.46 g/mol
Exact Mass363.21
IUPAC NameN-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cycloheptanamine
SMILESc1ccc(-n2nnnc2Oc2cccc(CNC3CCCCCC3)c2)cc1
InChIInChI=1S/C21H25N5O/c1-2-5-11-18(10-4-1)22-16-17-9-8-14-20(15-17)27-21-23-24-25-26(21)19-12-6-3-7-13-19/h3,6-9,12-15,18,22H,1-2,4-5,10-11,16H2
InChIKeyNTSCBPRZHIBADT-UHFFFAOYSA-N
XLogP4.27
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cyclopentanamine;hydrochloride
CID 17151701
N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
CID 17206261
4-fluoro-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]aniline
CID 66539007
1-phenyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine
CID 17206239
3-methoxy-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
CID 17206385
N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine
CID 60673062
4-[[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]methyl]benzoic acid
CID 17206285
N-[(3-pyrimidin-2-yloxyphenyl)methyl]cycloheptanamine
CID 17213620
N-[(2-methoxyphenyl)methyl]-1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine;hydrochloride
CID 17206380
1-phenyl-2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
CID 17206286
2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]butan-1-ol
CID 17206251
1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17206254

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cycloheptanamine?
The IUPAC name of N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cycloheptanamine (CID 17206293) is N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cycloheptanamine.
What is the SMILES notation for N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cycloheptanamine?
The canonical SMILES for N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cycloheptanamine is c1ccc(-n2nnnc2Oc2cccc(CNC3CCCCCC3)c2)cc1.
What is the InChIKey of N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cycloheptanamine?
The InChIKey is NTSCBPRZHIBADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-2-5-11-18(10-4-1)22-16-17-9-8-14-20(15-17)27-21-23-24-25-26(21)19-12-6-3-7-13-19/h3,6-9,12-15,18,22H,1-2,4-5,10-11,16H2.
What are the key properties of N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cycloheptanamine?
N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cycloheptanamine has a molecular weight of 363.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cycloheptanamine is sourced from PubChem (CID 17206293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).