N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine

C16H23N5 — CID 60673062

IUPACN-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine
SMILESc1ccc(-n2nnnc2CNC2CCCCCCC2)cc1
InChIInChI=1S/C16H23N5/c1-2-5-9-14(10-6-3-1)17-13-16-18-19-20-21(16)15-11-7-4-8-12-15/h4,7-8,11-12,14,17H,1-3,5-6,9-10,13H2
InChIKeyAYNQJDHKUBSXRP-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.86
Rot. Bonds4

About N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine

N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine (PubChem CID 60673062) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine.

Molecular Properties

Compound NameN-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine
PubChem CID60673062
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine
SMILESc1ccc(-n2nnnc2CNC2CCCCCCC2)cc1
InChIInChI=1S/C16H23N5/c1-2-5-9-14(10-6-3-1)17-13-16-18-19-20-21(16)15-11-7-4-8-12-15/h4,7-8,11-12,14,17H,1-3,5-6,9-10,13H2
InChIKeyAYNQJDHKUBSXRP-UHFFFAOYSA-N
XLogP2.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-phenyltetrazol-5-yl)methyl]thian-4-amine
CID 115595882
4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 60672744
2,2-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 79870597
N-[(1-naphthalen-2-yltetrazol-5-yl)methyl]cyclopropanamine
CID 62762601
N-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 55109524
N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cycloheptanamine
CID 17206293
1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 60714049
(6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95340139
1-(2-methylcyclopentyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 107417869
1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 63243666
N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride
CID 119920301
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine?
The IUPAC name of N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine (CID 60673062) is N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine.
What is the SMILES notation for N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine?
The canonical SMILES for N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine is c1ccc(-n2nnnc2CNC2CCCCCCC2)cc1.
What is the InChIKey of N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine?
The InChIKey is AYNQJDHKUBSXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-5-9-14(10-6-3-1)17-13-16-18-19-20-21(16)15-11-7-4-8-12-15/h4,7-8,11-12,14,17H,1-3,5-6,9-10,13H2.
What are the key properties of N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine?
N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine has a molecular weight of 285.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine is sourced from PubChem (CID 60673062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).