N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-phenyltetrazol-5-amine

C15H21N5 — CID 11938976

IUPACN-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-phenyltetrazol-5-amine
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1Nc1nnnn1-c1ccccc1
InChIInChI=1S/C15H21N5/c1-11-7-6-10-14(12(11)2)16-15-17-18-19-20(15)13-8-4-3-5-9-13/h3-5,8-9,11-12,14H,6-7,10H2,1-2H3,(H,16,17,19)/t11-,12+,14+/m0/s1
InChIKeyBPFDMCDSJFPSCR-OUCADQQQSA-N
MW271.37 g/mol
LogP2.90
Rot. Bonds3

About N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-phenyltetrazol-5-amine

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-phenyltetrazol-5-amine (PubChem CID 11938976) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-phenyltetrazol-5-amine
PubChem CID11938976
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-phenyltetrazol-5-amine
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1Nc1nnnn1-c1ccccc1
InChIInChI=1S/C15H21N5/c1-11-7-6-10-14(12(11)2)16-15-17-18-19-20(15)13-8-4-3-5-9-13/h3-5,8-9,11-12,14H,6-7,10H2,1-2H3,(H,16,17,19)/t11-,12+,14+/m0/s1
InChIKeyBPFDMCDSJFPSCR-OUCADQQQSA-N
XLogP2.90
TPSA55.63 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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2S)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine
CID 9311708
[2-[(1-phenyltetrazol-5-yl)amino]cyclohexyl]methanol
CID 106362209
1-N-methyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine
CID 79110566
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 11915021
N-(2,3-dimethylcyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 4828172
N-(2,3-dimethylcyclohexyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
CID 55628459
N-(2-methyloxan-4-yl)-1-phenyltetrazol-5-amine
CID 103889207
N-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine
CID 113428720
(2R,3S,4S)-2-(hydroxymethyl)-4-[(1-phenyltetrazol-5-yl)amino]oxan-3-ol
CID 154817090
1-(2-methylcyclopentyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 107417869
N-(1,1-dioxothiolan-3-yl)-1-phenyltetrazol-5-amine
CID 43078771
N-(2,3-dimethylcyclohexyl)pyrimidin-2-amine
CID 43080219

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-phenyltetrazol-5-amine (CID 11938976) is N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-phenyltetrazol-5-amine is C[C@@H]1[C@@H](C)CCC[C@H]1Nc1nnnn1-c1ccccc1.
What is the InChIKey of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-phenyltetrazol-5-amine?
The InChIKey is BPFDMCDSJFPSCR-OUCADQQQSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-7-6-10-14(12(11)2)16-15-17-18-19-20(15)13-8-4-3-5-9-13/h3-5,8-9,11-12,14H,6-7,10H2,1-2H3,(H,16,17,19)/t11-,12+,14+/m0/s1.
What are the key properties of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-phenyltetrazol-5-amine?
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-phenyltetrazol-5-amine has a molecular weight of 271.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 11938976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).